AL-Bioactive Compound LibraryCatalog NumberProduct NameCAS NumberTargetPathwayAlternative_NamesBiological DescriptionMWFormulaMax Solubility (mM)AL0001ABT-263 923564-51-6Bcl-2ApoptosisABT-263; NavitoclaxABT-263 (Navitoclax) is a potent inhibitor of Bcl-xL, Bcl-2 and Bcl-w with Ki of 0.5 nM, 1 nM and 1 nM, but binds more weakly to Mcl-1 and A1. Phase 1/2.974.61C47H55ClF3N5O6S3DMSO: 103AL0002ABT-737852808-04-9Bcl-2ApoptosisABT-737; ABT737ABT-737 is a BH3 mimetic inhibitor of Bcl-xL, Bcl-2 and Bcl-w with EC50 of 78.7 nM, 30.3 nM and 197.8 nM, respectively; no inhibition observed against Mcl-1, Bcl-B or Bfl-1. Phase 2.813.43C42H45ClN6O5S2DMSO: 123AL0003Linifanib796967-16-3PDGFR, VEGFRProtein Tyrosine KinaseLinifanib; AL-39324Linifanib (ABT-869) is a novel, potent ATP-competitive VEGFR/PDGFR inhibitor for KDR, CSF-1R, Flt-1/3 and PDGFR with IC50 of 4 nM, 3 nM, 3 nM/4 nM and 66 nM respectively, mostly effective in mutant kinase-dependent cancer cells (i.e. FLT3). Phase 3. 375.41C21H18FN5ODMSO: 200AL0004Veliparib (ABT-888)912444-00-9PARPDNA Damage ABT-869Veliparib (ABT-888) is a potent inhibitor of PARP1 and PARP2 with Ki of 5.2 nM and 2.9 nM, respectively. It is inactive to SIRT2. Phase 1/2.244.29C13H16N4ODMSO: 70AL0005Axitinib319460-85-0VEGFR, PDGFR, c-KitProtein Tyrosine KinaseAG 013736Axitinib is a multi-target inhibitor of VEGFR1, VEGFR2, VEGFR3, PDGFR and c-Kit with IC50 of 0.1 nM, 0.2 nM, 0.1-0.3 nM, 1.6 nM and 1.7 nM, respectively.386.47C22H18N4OSDMSO: 91AL0006Saracatinib (AZD0530)379231-04-6Src, Bcr-AblAngiogenesisN/ASaracatinib (AZD0530) is a potent Src inhibitor with IC50 of 2.7 nM, and potent to c-Yes, Fyn, Lyn, Blk, Fgr and Lck; less active for Abl and EGFR (L858R and L861Q). Phase 1/2.542.03C27H32ClN5O5DMSO: 65AL0007FG-4592808118-40-3HIFAngiogenesisN/AFG-4592 is an HIF prolyl hydroxylase inhibitor, stabilizes HIF-2 and induces EPO production. Phase 2/3.352.34C19H16N2O5DMSO: 199AL0008Selumetinib (AZD6244)606143-52-6MEKMAPKARRY-142886Selumetinib (AZD6244) is a potent, highly selective MEK1 inhibitor with IC50 of 14 nM, also inhibits ERK1/2 phosphorylation with IC50 of 10 nM, no inhibition to p38, MKK6, EGFR, ErbB2, ERK2, B-Raf, etc. Phase 1/2.457.68C17H15BrClFN4O3DMSO: 199AL0009Nintedanib (BIBF 1120)656247-17-5VEGFR, PDGFR, FGFRProtein Tyrosine KinaseN/ANintedanib (BIBF 1120) is a potent triple angiokinase inhibitor for VEGFR1/2/3, FGFR1/2/3 and PDGFR/ with IC50 of 34 nM/13 nM/13 nM, 69 nM/37 nM/108 nM and 59 nM/65 nM. Phase 3.539.62C31H33N5O4DMSO: 61AL0010Afatinib (BIBW2992)439081-18-2EGFRProtein Tyrosine KinaseN/AAfatinib (BIBW2992) irreversibly inhibits EGFR/HER2 including EGFR(wt), EGFR(L858R), EGFR(L858R/T790M) and HER2 with IC50 of 0.5 nM, 0.4 nM, 10 nM and 14 nM, respectively; 100-fold more active against Gefitinib-resistant L858R-T790M EGFR mutant. Phase 3.485.94C24H25ClFN5O3DMSO: 200AL0011BMS-536924468740-43-4IGF-1RProtein Tyrosine KinaseN/ABMS-536924 is an ATP-competitive IGF-1R/IR inhibitor with IC50 of 100 nM/73 nM, modest activity for Mek, Fak, and Lck with very little activity for Akt1, MAPK1/2. 479.96C25H26ClN5O3DMSO: 200AL0012Bosutinib380843-75-4SrcAngiogenesisSKI-606Bosutinib (SKI-606) is a novel, dual Src/Abl inhibitor with IC50 of 1.2 nM and 1 nM, respectively.530.45C26H29Cl2N5O3DMSO: 189AL0013Cediranib (AZD2171)288383-20-0VEGFR, FltProtein Tyrosine KinaseRecentinCediranib (AZD2171) is a highly potent VEGFR(KDR) inhibitor with IC50 of 1000-fold selective more for VEGFR than PDGFR-, CSF-1R and Flt3, Phase 2/3.450.51C25H27FN4O3DMSO: 200AL0014Dovitinib405169-16-6c-Kit, FGFR, Flt, VEGFR, PDGFRAngiogenesisTKI-258; CHIR-258Dovitinib (TKI258, CHIR258) is a multitargeted RTK inhibitor, mostly for class III (FLT3/c-Kit) with IC50 of 1 nM/2 nM, also potent to class IV (FGFR1/3) and class V (VEGFR1-4) RTKs with IC50 of 8-13 nM, less potent to InsR, EGFR, c-Met, EphA2, Tie2, IGF-1R and HER2. Phase 4.392.43C21H21FN6ODMSO: 76AL0015PD184352212631-79-3MEKMAPKCI-1040CI-1040 (PD 184352) is an ATP non-competitive MEK1/2 inhibitor with IC50 of 17 nM, 100-fold more selective for MEK1/2 than MEK5. Phase 2.478.67C17H14ClF2IN2O2DMSO: 201AL0016Dasatinib302962-49-8Src, Bcr-Abl, c-KitAngiogenesisSprycelDasatinib is a novel, potent and multi-targeted inhibitor that targets Abl, Src and c-Kit, with IC50 of 1 nM, 0.8 nM and 79 nM, respectively.488.01C22H26ClN7O2SDMSO: 201AL0017Ridaforolimus (Deforolimus, MK-8669)572924-54-0mTORPI3K/Akt/mTORAP23573; MK-8669Ridaforolimus (Deforolimus, MK-8669) is a selective mTOR inhibitor with IC50 of 0.2 nM in HT-1080 cell line; while not classified as a prodrug, mTOR inhibition and FKBP12 binding is similar to rapamycin. Phase 3.990.21C53H84NO14PDMSO: 200AL0018Erlotinib HCl (OSI-744)183319-69-9EGFRProtein Tyrosine Kinase(CP358774; NSC 718781) HClErlotinib HCl (OSI-744) is an EGFR inhibitor with IC50 of 2 nM, >1000-fold more sensitive for EGFR than human c-Src or v-Abl. Phase 3.429.90C22H24ClN3O4DMSO: 10AL0019Gefitinib (ZD1839)184475-35-2EGFRProtein Tyrosine KinaseZD-1839Gefitinib (ZD-1839) is an EGFR inhibitor for Tyr1173, Tyr992, Tyr1173 and Tyr992 in the NR6wtEGFR and NR6W cells with IC50 of 37 nM, 37nM, 26 nM and 57 nM, respectively.446.90C22H24ClFN4O3DMSO: 199AL0020Imatinib Mesylate (STI571)220127-57-1PDGFR, c-Kit, Bcr-AblProtein Tyrosine KinaseGlivec; CGP-57148B; STI-571Imatinib Mesylate (STI571) is an orally bioavailability mesylate salt of Imatinib, which is a multi-target inhibitor of v-Abl, c-Kit and PDGFR with IC50 of 0.6 M, 0.1 M and 0.1 M, respectively.589.71C30H35N7O4SDMSO:200; Water: 200AL0021Lapatinib (GW-572016) Ditosylate388082-77-7EGFR, HER2Protein Tyrosine KinaseGW-57201Lapatinib Ditosylate (GW572016, GW2016) is a potent EGFR and ErbB2 inhibitor with IC50 of 10.8 and 9.2 nM, respectively.925.46C43H42ClFN4O10S3DMSO: 108AL0022Lenalidomide (CC-5013)191732-72-6TNF-alphaApoptosisCC-5013Lenalidomide (CC-5013) is a TNF- secretion inhibitor with IC50 of 13 nM.259.26C13H13N3O3DMSO: 201AL0023Panobinostat (LBH589)404950-80-7HDACEpigeneticsN/APanobinostat (LBH589) is a novel broad-spectrum HDAC inhibitor with IC50 of 5 nM. Phase 3.349.43C21H23N3O2DMSO: 197AL0024Motesanib Diphosphate (AMG-706)857876-30-3VEGFR, PDGFR, c-KitProtein Tyrosine KinaseAMG-706Motesanib Diphosphate (AMG-706) is a potent ATP-competitive inhibitor of VEGFR1/2/3 with IC50 of 2 nM/3 nM/6 nM, respectively; similar activity against Kit, ~10-fold more selective for VEGFR than PDGFR and Ret. Phase 1/2.569.44C22H29N5O9P2DMSO: 176; Water: 33AL0025Nilotinib (AMN-107)641571-10-0Bcr-AblAngiogenesisTasignaNilotinib (AMN-107) is a Bcr-Abl inhibitor with IC50 less than 30 nM.529.52C28H22F3N7ODMSO: 51AL0026NVP-AEW541475489-16-8IGF-1RProtein Tyrosine KinaseAEW541NVP-AEW541 is a potent inhibitor of IGF-1R with IC50 of 86 nM, 27-fold greater selectivity for IGF-1R than InsR.439.55C27H29N5ODMSO: 200AL0027Pazopanib HCl635702-64-6VEGFR, PDGFR, c-KitProtein Tyrosine KinaseGW786034Pazopanib (GW786034) is a novel multi-target inhibitor of VEGFR1, VEGFR2, VEGFR3, PDGFR, FGFR, c-Kit and c-Fms with IC50 of 10 nM, 30 nM, 47 nM, 84 nM, 74 nM, 140 nM and 146 nM, respectively.473.98C21H24ClN7O2SDMSO: 35AL0028PD0325901391210-10-9MEKDNA DamageN/APD0325901 (PD325901) is selective and non ATP-competitive MEK inhibitor with IC50 of 0.33 nM, roughly 500-fold more potent than CI-1040 on phosphorylation of ERK1 and ERK2. Phase 1/2.482.19C16H14F3IN2O4DMSO: 199AL0029PI-103371935-74-9DNA-PK, PI3K, mTORNeuronal SignalingN/API-103 is a multi-targeted PI3K inhibitor for p110/// with IC50 of 2 nM/3 nM/3 nM/15 nM, less potent to mTOR/DNA-PK with IC50 of 30 nM/23 nM.348.36C19H16N4O3DMSO: 69AL0030Rapamycin (Sirolimus)53123-88-9mTORDNA DamageN/ARapamycin (Sirolimus, AY-22989, WY-090217) is a specific mTOR inhibitor with IC50 of ~0.1 nM.914.18C51H79NO13DMSO: 22AL0031Sorafenib Tosylate475207-59-1VEGFR, PDGFR, RafNeuronal SignalingBay 43-9006Sorafenib Tosylate (Bay 43-9006) is a multikinase inhibitor of Raf-1, B-Raf and VEGFR-2 with IC50 of 6 nM, 22 nM and 90 nM, respectively.637.03C28H24ClF3N4O6SDMSO: 199; Water: 200-fold selectivity over other kinases, including PKC, cAMP-dependent protein kinase, MLCK and PAK.320.26C14H23Cl2N3ODMSO: 200AL0040Elesclomol (STA-4783)488832-69-5HSPAngiogenesisSTA-4783Elesclomol (STA-4783) is a novel potent oxidative stress inducer that elicits pro-apoptosis events among tumor cells.400.50C19H20N4O2S2DMSO: 200AL0041Entinostat (MS-275)209783-80-2HDACTransmembrane TransportersSNDX-275Entinostat (MS-275) strongly inhibits HDAC1 and HDAC3 with IC50 of 0.51 M and 1.7 M, compared with HDACs 4, 6, 8, and 10. Phase 1/2.376.41C21H20N4O3DMSO: 199AL0042Enzastaurin (LY317615)170364-57-5PKCNeuronal SignalingN/AEnzastaurin (LY317615) is a potent PKC selective inhibitor with IC50 of 6 nM, 6- to 20-fold selectivity against PKC, PKC and PKC. Phase 3.515.61C32H29N5O2DMSO: 58AL0043AC480714971-09-2HER2Neuronal SignalingBMS-599626AC480 (BMS-599626) is a selective and efficacious inhibitor of HER1 and HER2 with IC50 of 20 nM and 30 nM, ~8-fold less potent to HER4, >100-fold to VEGFR2, c-Kit, Lck, MET etc. Phase 1.567.01C27H27FN8O3DMSO: 199AL0044Obatoclax Mesylate (GX15-070)803712-79-0Bcl-2Neuronal SignalingN/AObatoclax (GX15-070) is an antagonist of Bcl-2 with Ki of 0.22 M, can assist in overcoming MCL-1 mediated resistance to apoptosis. Phase 1/2.413.49C21H23N3O4SDMSO: 201AL0045Olaparib (AZD2281, Ku-0059436)763113-22-0PARPProtein Tyrosine KinaseKU-0059436Olaparib (AZD2281, KU0059436) is a selective inhibitor of PARP1/2 with IC50 of 5 nM/1 nM, 300-times less effective against tankyrase-1. Phase 1/2.434.46C24H23FN4O3DMSO: 198; Water: 50-fold selectivity for c-Met than RTKs or STKs.641.61C32H34Cl2N4O4SDMSO: 199AL0054HA14-165673-63-4Bcl-2Neuronal SignalingHA141HA14-1 is a non-peptidic ligand of a Bcl-2 surface pocket with IC50 of ~9 M.409.23C17H17BrN2O5DMSO: 200AL0055ZSTK474475110-96-4PI3KNeuronal SignalingN/AZSTK474 inhibits class I PI3Kisoforms with IC50 of 37 nM, mostly PI3K. 417.41C19H21F2N7O2DMSO: 50AL0056SB216763280744-09-4GSK-3OthersN/ASB216763 is a potent and selective GSK-3 inhibitor with IC50 of 34.3 nM for GSK-3 and equally effective at inhibiting human GSK-3.371.22C19H12Cl2N2O2DMSO: 62AL0057SB203580152121-47-6p38 MAPKTransmembrane TransportersN/ASB203580 is a p38 MAPK inhibitor with IC50 of 0.3-0.5 M, 10-fold less sensitive to SAPK3(106T) and SAPK4(106T) and blocks PKB phosphorylation with IC50 of 3-5 M. 377.43C21H16FN3OSDMSO: 114AL0058SB202190 (FHPI)152121-30-7p38 MAPKPI3K/Akt/mTORN/ASB202190 (FHPI) is a potent p38 MAPK inhibitor targeting p38/ with IC50 of 50 nM/100 nM, sometimes used instead of SB 203580 to investigate potential roles for SAPK2a/p38 in vivo.331.34C20H14FN3ODMSO: 199AL0059MK-2206 2HCl1032350-13-2AktOthersN/AMK-2206 2HCl is a highly selective inhibitor of Akt1/2/3 with IC50 of 8 nM/12 nM/65 nM, respectively; no inhibitory activities against 250 other protein kinases observed. Phase 2.480.39C25H23Cl2N5ODMSO: 29AL0060SU11274658084-23-2c-MetNeuronal SignalingPKI-SU11274SU11274 is a selective Met inhibitor with IC50 of 10 nM, no effects on PGDFR, EGFR or Tie2.568.09C28H30ClN5O4SDMSO: 162AL0061Vismodegib (GDC-0449)879085-55-9Hedgehog, P-gpNeuronal SignalingN/AVismodegib (GDC-0449) is a potent, novel and specific hedgehog inhibitor with IC50 of 3 nM and also inhibits P-gp with IC50 of 3.0 M.421.30C19H14Cl2N2O3SDMSO: 199AL0062Brivanib649735-46-6VEGFR, FGFRGPCR & G ProteinBMS-540215Brivanib is an ATP-competitive inhibitor against VEGFR2 with IC50 of 25 nM, moderate potency against VEGFR-1 and FGFR-1, but >240-fold against PDGFR-. Phase 3.370.38C19H19FN4O3DMSO: 200AL0063Belinostat (PXD101)414864-00-9HDACOthersN/ABelinostat (PXD101) is a novel HDAC inhibitor with IC50 of 27 nM, with activity demonstrated in cisplatin-resistant tumors. Phase 1/2.318.35C15H14N2O4SDMSO: 201AL0064Iniparib160003-66-7PARPOthersSAR240550; BSI-201BSI-201 (Iniparib, SAR240550) is a PARP1 inhibitor with demonstrated effectiveness in triple-negative breast cancer (TNBC). Phase 3.292.03C7H5IN2O3DMSO: 199AL0065Refametinib (RDEA119, Bay 86-9766)923032-37-5MEKOthersBAY 869766Refametinib (RDEA119, Bay 86-9766) is a potent, ATP non-competitive and highly selective inhibitor of MEK1 and MEK2 with IC50 of 19 nM and 47 nM, respectively.572.34C19H20F3IN2O5SDMSO: 175AL0066PCI-24781 (Abexinostat)783355-60-2HDACOthersCRA-02478PCI-24781 is a novel pan-HDAC inhibitor mostly targeting HDAC1 with Ki of 7 nM, modest potent to HDACs 2, 3, 6, and 10 and greater than 40-fold selectivity against HDAC8. Phase 1/2.397.42C21H23N3O5DMSO: 201AL0067OSI-906 (Linsitinib)867160-71-2IGF-1ROthersN/AOSI-906 (Linsitinib) is a selective inhibitor of IGF-1R with IC50 of 35 nM; modestly potent to InsR with IC50 of 75 nM, and no activity towards Abl, ALK, BTK, EGFR, FGFR1/2, PKA etc. Phase 3.421.49C26H23N5ODMSO: 199AL0068KU-55933 (ATM Kinase Inhibitor)587871-26-9ATMOthersN/AKU-55933 is a potent and specific ATM inhibitor with IC50/Ki of 12.9 nM/2.2 nM, and is highly selective for ATM as compared to DNA-PK, PI3K/PI4K, ATR and mTOR.395.49C21H17NO3S2DMSO: 83AL0069GSK1904529A1089283-49-7IGF-1ROthersN/AGSK1904529A is a selective inhibitor of IGF-1R and IR with IC50 of 27 nM and 25 nM, >100-fold more selective for IGF-1R/InsR than Akt1/2, Aurora A/B,B-Raf, CDK2, EGFR etc.851.96C44H47F2N9O5SDMSO: 146AL0070PF-04217903956905-27-4c-MetOthersN/APF-04217903 is a selective ATP-competitive c-Met inhibitor with IC50 of 4.8 nM, susceptible to oncogenic mutations (no activity to Y1230C mutant). Phase 1.372.38C19H16N8ODMSO: 13AL0071LAQ824 (Dacinostat)404951-53-7HDACOthersN/ALAQ824 (Dacinostat) is a novel HDAC inhibitor with IC50 of 32 nM and is known to activate the p21 promoter.379.46C22H25N3O3DMSO: 200AL0072Quisinostat (JNJ-26481585)875320-31-3HDACOthersN/AJNJ-26481585 is a novel second-generation HDAC inhibitor with highest potency for HDAC1 with IC50 of 0.11 nM, modest potent to HDACs 2, 4, 10, and 11; greater than 30-fold selectivity against HDACs 3, 5, 8, and 9 and lowest potency to HDACs 6 and 7. Phase 2.394.48C21H28Cl2N6O2DMSO: 200AL0073BTZ043 Racemate957217-65-1OthersOthersBTZ038; BTZ044BTZ043 racemate is a decaprenylphosphoryl--D-ribose 2'-epimerase (DprE1) inhibitor acting as a new antimycobacterial agent that kill Mycobacterium tuberculosis.431.39C17H16F3N3O5SDMSO: 51AL0074Rucaparib (AG-014699,PF-01367338)459868-92-9PARPOthersAG-014447Rucaparib (AG-014699, PF-01367338) is an inhibitor of PARP with Ki of 1.4 nM for PARP1, also showing binding affinity to eight other PARP domains. Phase 1/2.421.36C19H21FN3O5PDMSO: 199AL0075MLN8054869363-13-3Aurora KinaseOthersN/AMLN8054 is a potent and selective inhibitor of Aurora A with IC50 of 4 nM. It is more than 40-fold selective for Aurora A than Aurora B. Phase 1.476.86C25H15ClF2N4O2DMSO: 199AL0076Vatalanib (PTK787) 2HCl212141-51-0VEGFR, c-Kit, FltOthersZK222584Vatalanib (PTK787) is an inhibitor of VEGFR2/KDR with IC50 of 37 nM, less potent against VEGFR1/Flt-1, 18-fold against VEGFR3/Flt-4. Phase 1/2.419.73C20H17Cl3N4DMSO: 203; Water: 24AL0077U0126-EtOH1173097-76-1MEKOthersN/AU0126-EtOH is a highly selective inhibitor of MEK1/2 with IC50 of 0.07 M/0.06 M, 100-fold higher affinity for N3-S218E/S222D MEK than PD098059.426.56C20H22N6OS2DMSO: 199AL0078ZM 447439331771-20-1Aurora KinaseOthersN/AZM 447439 is a selective and ATP-competitive inhibitor for Aurora A and Aurora B with IC50 of 110 nM and 130 nM, respectively. It is more than 8-fold selective for Aurora A/B than MEK1, Src, Lck and has little effect againstCDK1/2/4, Plk1, Chk1, etc.513.59C29H31N5O4DMSO: 201AL0079GDC-0879905281-76-7RafOthersN/AGDC-0879 is a novel, potent, and selective B-Raf inhibitor with IC50 of 0.13 nM with activity against c-Raf as well; no inhibition known to other protein kinases.334.37C19H18N4O2DMSO: 197AL0080LY294002154447-36-6PI3KOthersN/ALY294002 is the first synthetic molecule known to inhibit PI3K// with IC50 of 0.5 M/0.57 M/0.97 M, respectively; more stable in solution than Wortmannin, and also blocks autophagosome formation.307.34C19H17NO3DMSO: 117AL0081OSU-03012 (AR-12)742112-33-0PDK-1OthersAR-12OSU-03012 is a potent inhibitor of recombinant PDK-1 with IC50 of 5 M and 2-fold increase in potency over OSU-02067.460.45C26H19F3N4ODMSO: 24AL0082Danusertib (PHA-739358)827318-97-8Aurora Kinase, FGFR, Bcr-Abl, c-RET, SrcOthersN/ADanusertib (PHA-739358) is an Aurora kinase inhibitor for Aurora A/B/C with IC50 of 13 nM/79 nM/61 nM, modestly potent to Abl, TrkA, c-RET and FGFR1, and less potent to Lck, VEGFR2/3, c-Kit, CDK2, etc. Phase 2.474.55C26H30N6O3DMSO: 200AL0083BI 2536755038-02-9PLKOthersN/ABI2536 is a potent Plk1 inhibitor with IC50 of 0.83 nM. It shows 4- and 11-fold greater selectivity against Plk2 and Plk3. Phase 2.521.66C28H39N7O3DMSO: 40AL0084Varespladib (LY315920)172732-68-2PhospholipaseOthersLY-333013LY315920 (Varespladib) is a potent and selective human non-pancreatic secretory phospholipase A2 (hnsPLA) inhibitor with IC50 of 7 nM,. Phase 3.380.39C21H20N2O5DMSO: 200AL0085Foretinib (GSK1363089)849217-64-7c-Met, VEGFROthersN/AForetinib (GSK1363089) is an ATP-competitive inhibitor of HGFR and VEGFR, mostly for Met and KDR with IC50 of 0.4 nM and 0.9 nM. Less potent against Ron, Flt-1/3/4, Kit, PDGFR/ and Tie-2, and little activity to FGFR1 and EGFR. Phase 2.632.65C34H34F2N4O6DMSO: 201AL0086SGX-5231022150-57-7c-MetOthersN/ASGX-523 is a selective Met inhibitor with IC50 of 4 nM, no activity to BRAFV599E, c-Raf, Abl and p38. Phase 1.359.41C18H13N7SDMSO: 10AL0087GSK690693937174-76-0AktOthersN/AGSK690693 is a pan-Akt inhibitor targeting Akt1/2/3 with IC50 of 2 nM/13 nM/9 nM, also sensitive to the AGC kinase family: PKA, PrkX and PKC isozymes. Phase 1.425.48C21H27N7O3DMSO: 92AL0088JNJ-38877605943540-75-8c-MetOthersN/AJNJ-38877605 is an ATP-competitive inhibitor of c-Met with IC50 of 4 nM, 600-fold selective for c-Met than 200 other tyrosine and serine-threonine kinases. Phase 1.377.35C19H13F2N7DMSO: 98AL0089Odanacatib (MK-0822)603139-19-1Cathepsin KOthersMK0822Odanacatib (MK 0822) is a potent, selective, and neutral inhibitor of cathepsin K (human/rabbit) with IC50 of 0.2 nM/1 nM, and demonstrated high selectivity versus off-target cathepsin B, L, S. Phase 3.525.56C25H27F4N3O3SDMSO: 190AL0090Triciribine35943-35-2AktOthersN/ATriciribine is a DNA synthesis inhibitor, also inhibits Akt and HIV-1 with IC50 of 130 nM and 20 nM, respectively; does not inhibit PI3K/PDK1; 5000-fold less active in cells lacking adenosine kinase. Phase 1/2.320.30C13H16N6O4DMSO: 200AL0091Cabozantinib (XL184, BMS-907351)849217-68-1VEGFR, c-Met, Flt, Tie-2, c-KitOthersBMS-907351Cabozantinib (XL184, BMS-907351) is a potent VEGFR2 inhibitor with IC50 of 0.035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM, respectively.501.51C28H24FN3O5DMSO: 199AL0092Everolimus (RAD001)159351-69-6mTOROthersCertican; Zortress; AfinitorEverolimus (RAD001) is an mTOR inhibitor of FKBP12 with IC50 of 1.6-2.4 nM.958.22C53H83NO14DMSO: 31AL0093TW-37877877-35-5Bcl-2OthersN/ATW-37 is a novel nonpeptide inhibitor to recombinant Bcl-2, Bcl-xL and Mcl-1 with Ki of 0.29 M, 1.11 M and 0.26 M, respectively.573.70C33H35NO6SDMSO: 200AL0094Mocetinostat (MGCD0103)726169-73-9HDACOthersN/AMocetinostat (MGCD0103) is a potent HDAC inhibitor with most potency for HDAC1 with IC50 of 0.15 M, 2- to 10- fold selectivity against HDAC2, 3, and 11, and no activity to HDAC4, 5, 6, 7, and 8. Phase 1/2.396.44C23H20N6ODMSO: 33AL0095BMS-7548071001350-96-4IGF-1ROthersN/ABMS-754807 is a potent and reversible inhibitor of IGF-1R/InsR with IC50 of 1.8 nM/1.7 nM, less potent to Met, Aurora A/B, TrkA/B and Ron, and shows little activity to Flt3, Lck, MK2, PKA, PKC etc. Phase 1/2.461.49C23H24FN9ODMSO: 199AL0096SRT17201001645-58-4SirtuinOthersN/ASRT1720 is a selective SIRT1 activator with EC50 of 0.16 M, but is >230-fold less potent for SIRT2 and SIRT3. 506.02C25H24ClN7OSDMSO: 75AL0097YM155 (Sepantronium Bromide)781661-94-7SurvivinOthersN/AYM155 is a potent survivin suppressant by inhibiting Survivin promoter activity with IC50 of 0.54 nM; does not significantly inhibit SV40 promoter activity, but is observed to slightly inhibit the interaction of Survivin with XIAP. Phase 1/2.443.29C20H19BrN4O3DMSO: 124; Water: 201AL0098INO-10013544-24-9PARPOthersN/AINO-1001 is a potent inhibitor of PARP with IC50 of 200-fold higher selectivity for Aurora A than Aurora B. Phase 3.518.92C27H20ClFN4O4DMSO: 52AL0100AT9283896466-04-9Bcr-Abl, JAK, Aurora KinaseOthersN/AAT9283 is a potent JAK2/3 inhibitor with IC50 of 1.2 nM/1.1 nM; also potent to Aurora A/B, Abl(T315I). Phase 1/2.381.43C19H23N7O2DMSO: 199AL0101Malotilate59937-28-9OthersOthersN/AMalotilate is a liver protein metabolism improved compound.288.38C12H16O4S2DMSO: 201AL0102Brivanib Alaninate (BMS-582664)649735-63-7VEGFR, FGFROthersN/ABrivanib alaninate (BMS-582664) is the prodrug of BMS-540215, an ATP-competitive inhibitor against VEGFR2 with IC50 of 25 nM.441.46C22H24FN5O4DMSO: 199AL0103ADL5859 HCl850173-95-4Opioid ReceptorOthersN/AADL5859 HCl is a -opioid receptor agonist with Ki of 0.8 nM, selectivity against opioid receptor , , and weak inhibitory activity at the hERG channel. Phase 2.428.95C24H29ClN2O3DMSO: 200; Water: 12AL0104Andarine401900-40-1Androgen ReceptorOthersGTX-007Andarine is a selective non-steroidal androgen receptor (AR) agonist with Ki of 4 nM, tissue-selective for anabolic organs.441.36C19H18F3N3O6DMSO: 199AL010517-AAG (Tanespimycin)75747-14-7HSPOthersN/A17-AAG is a potent HSP90 inhibitor with IC50 of 5 nM, having a 100-fold higher binding affinity for HSP90 derived from tumour cells than HSP90 from normal cells.585.69C31H43N3O8DMSO: 171AL010617-DMAG (Alvespimycin) HCl467214-21-7HSPOthersNSC 70754517-DMAG is a potent, water-soluble HSP90 inhibitor with IC50 of 62 nM.653.21C32H49ClN4O8DMSO: 201AL0107AG-490 (Tyrphostin B42)133550-30-8JAK, EGFROthersN/AAG-490 (Tyrphostin B42) is an inhibitor of EGFR with IC50 of 0.1 M, 135-fold more selective for EGFR versus ErbB2, also inhibits JAK2 with no activity to Lck, Lyn, Btk, Syk and Src.294.30C17H14N2O3DMSO: 200AL0108Ivacaftor873054-44-5CFTROthersVX-770Ivacaftor (VX-770) is a potentiator of CFTR targeting G551D-CFTR and F508del-CFTR with EC50 of 100 nM and 25 nM, respectively.392.49C24H28N2O3DMSO: 199AL0109SNS-032345627-80-7CDKOthersBMS-387032SNS-032 has firstly been described as a selective inhibitor of CDK2 with IC50 of 48 nM and is 10- and 20-fold selective over CDK1/CDK4. It is also found to be sensitive to CDK7/9 with IC50 of 62 nM/4 nM, with little effect on CDK6. Phase 1.380.53C17H24N4O2S2DMSO: 200AL0110Barasertib (AZD1152-HQPA)722544-51-6Aurora KinaseOthersAZD1152AZD1152-HQPA (Barasertib) is a highly selective Aurora B inhibitor with IC50 of 0.37 nM, ~100 fold more selective for Aurora B over Aurora A.507.56C26H30FN7O3DMSO: 201AL0111Docetaxel114977-28-5Microtubule AssociatedOthersN/ADocetaxel, an analog of taxol, is an inhibitor of depolymerisation of microtubules by binding to stabilized microtubules.807.88C43H53NO14DMSO: 124AL0112Paclitaxel33069-62-4Microtubule AssociatedOthersN/APaclitaxel is a microtubule polymer stabilizer with IC50 of 0.1 pM in human endothelial cells.853.91C47H51NO14DMSO: 200AL0113PLX-4720918505-84-7RafOthersN/APLX4720 is a potent and selective inhibitor of B-RafV600E with IC50 of 13 nM, equally potent to c-Raf-1(Y340D and Y341D mutations), 10-fold selectivity for B-RafV600E than wild-type B-Raf.413.83C17H14ClF2N3O3SDMSO: 201AL0114Roscovitine (Seliciclib,CYC202)186692-46-6CDKOthersN/ARoscovitine (Seliciclib, CYC202) is a potent and selective CDK inhibitor for Cdc2, CDK2 and CDK5 with IC50 of 0.65 M, 0.7 M and 0.16 M. It shows little effect on CDK4/6. Phase 2.354.45C19H26N6ODMSO: 200AL0115SNS-314 Mesylate1146618-41-8Aurora KinaseOthersN/ASNS-314 Mesylate is a potent and selective inhibitor of Aurora A, Aurora B and Aurora C with IC50 of 9 nM, 31 nM, and 3 nM, respectively. It is less potent to Trk A/B, Flt4, Fms, Axl, c-Raf and DDR2. Phase 1.527.04C19H19ClN6O4S3DMSO: 199; Water: 11AL0116S3I-201501919-59-1STATOthersN/AS3I-201 shows potent inhibition of STAT3 DNA-binding activity with IC50 of 86 M, and low activity towards STAT1 and STAT5.365.36C16H15NO7SDMSO: 200AL0117Capecitabine 154361-50-9DNA/RNA SynthesisOthersCaptabinCapecitabine is a tumor-selective fluoropyrimidine carbamate which achieves higher intratumoral 5-FU level with lower toxicity than 5-FU.359.35C15H22FN3O6DMSO: 200; Water: 17AL0118CEP-18770 (Delanzomib)847499-27-8ProteasomeOthersN/ACEP-18770 is an orally active inhibitor of the chymotrypsin-like activity of proteasome with IC50 of 3.8 nM, with only marginal inhibition of the tryptic and peptidylglutamyl activities of the proteosome. Phase 1/2.413.28C21H28BN3O5DMSO: 201AL0119MK-82451030612-90-8DehydrogenaseMetabolismN/AMK-8245 is an liver-targeting inhibitor of stearoyl-CoA desaturase (SCD) with IC50 of 1 nM for human SCD1 and 3 nM for both rat SCD1 and mouse SCD1, with anti-diabetic and anti-dyslipidemic efficacy. Phase 2.467.25C17H16BrFN6O4DMSO: 199AL0120Ganetespib (STA-9090)888216-25-9HSPOthersN/AGanetespib is an HSP90 inhibitor with IC50 of 4 nM in OSA 8 cells, induces apoptosis of OSA cells while normal osteoblasts are not affected; active metabolite of STA-1474.364.40C20H20N4O3DMSO: 110AL0121PA-824187235-37-6OthersOthersN/APA-824 is an anti-tuberculosis drug for tuberculosis with MIC less than 2.8 M.359.26C14H12F3N3O5DMSO: 200AL0122AT13387912999-49-6HSPOthersN/AAT13387 is a selective potent Hsp90 inhibitor with IC50 of 18 nM in A375 cells, displays a long duration of anti-tumor activity.409.52C24H31N3O3DMSO: 61AL0123Lenvatinib (E7080)417716-92-8VEGFRProtein Tyrosine KinaseN/AE7080 (Lenvatinib) is a multi-target inhibitor, mostly for VEGFR2(KDR)/VEGFR3(Flt-4) with IC50 of 4 nM/5.2 nM, less potent against VEGFR1/Flt-1, ~10-fold more selective for VEGFR2/3 against FGFR1, PDGFR/. Phase 3.426.85C21H19ClN4O4DMSO: 94AL0124ABT-751 (E7010)141430-65-1Microtubule AssociatedCytoskeletal SignalingN/AABT-751 (E7010) binds to the colchicine site on -tubulin and inhibits polymerization of microtubules, not a substrate for the MDR transporter and is active against cell lines resistant to vincristine, doxorubicin, and cisplatin. Phase 1/2.371.41C18H17N3O4SDMSO: 199AL0125CP-724714537705-08-1EGFR, HER2Protein Tyrosine KinaseN/ACP-724,714 is a potent, selective inhibitor of HER2/ErbB2 with IC50 of 10 nM, >640-fold selectivity against EGFR, InsR, IRG-1R, PDGFR, VEGFR2, Abl, Src, c-Met etc. Phase 2.469.53C27H27N5O3DMSO: 200AL0126Valproic acid sodium salt (Sodium valproate)1069-66-5GABA Receptor, HDACNeuronal SignalingN/AValproic acid sodium salt (Sodium valproate) is a HDAC inhibitor with IC50 of 0.4 mM and also inhibits GABA-transaminase or succinicsemialdehyde dehydrogenase.166.19C8H15NaO2DMSO: 199; Water: 199AL0127TGX-221663619-89-4PI3KPI3K/Akt/mTORN/ATGX-221 is a p110-specific inhibitor with IC50 of 5 nM, 1000-fold more selective for p110 than p110. 364.44C21H24N4O2DMSO: 33AL0128WZ31461214265-56-1EGFRProtein Tyrosine KinaseN/AWZ3146 is a mutant-selective irreversible inhibitor of EGFR(L858R) and EGFR(E746_A750) with IC50 of 2 nM and 2 nM; does not inhibit ERBB2 phosphorylation (T798I).464.95C24H25ClN6O2DMSO: 200AL0129CYC116693228-63-6Aurora Kinase, VEGFRCell CycleN/ACYC116 is a potent inhibitor of Aurora A/B with Ki of 8.0 nM/9.2 nM, is less potent to VEGFR2 (Ki of 44 nM), with 50-fold greater potency than CDKs, not active against PKA, Akt/PKB, PKC, no effect on GSK-3/, CK2, Plk1 and SAPK2A. Phase 1.368.46C18H20N6OSDMSO: 65AL0130JNJ-26854165 (Serdemetan)881202-45-5p53ApoptosisN/AJNJ-26854165 acts as a HDM2 ubiquitin ligase antagonist and also induces early apoptosis in p53 wild-type cells, inhibits cellular proliferation followed by delayed apoptosis in the absence of functional p53. Phase 1.328.41C21H20N4DMSO: 201AL0131WZ40021213269-23-8EGFRProtein Tyrosine KinaseN/AWZ4002 is a novel, mutant-selective EGFR inhibitor for EGFR(L858R)/(T790M) with IC50 of 2 nM/8 nM; does not inhibit ERBB2 phosphorylation (T798I).494.18C25H27ClN6O3DMSO: 26AL0132MK-2866 (GTx-024)841205-47-8Androgen ReceptorEndocrinology & HormonesGTx-024; MK-2866MK-2866 (GTx-024) is a selective androgen receptor modulator (SARM) with Ki of 3.8 nM, and is tissue-selective for anabolic organs. Phase 3.389.33C19H14F3N3O3DMSO: 200AL0133BIIB021848695-25-0HSPCytoskeletal SignalingCNF2024BIIB021 is an orally available, fully synthetic small-molecule inhibitor of HSP90 with Ki and EC50 of 1.7 nM and 38 nM, respectively.318.76C14H15ClN6ODMSO: 201AL0134Plinabulin (NPI-2358)714272-27-2VDAAngiogenesisN/APlinabulin (NPI-2358) is a vascular disrupting agent (VDA) against tubulin-depolymerizing with IC50 of 9.8~18 nM in tumor cells. Phase 1/2.336.39C19H20N4O2DMSO: 161AL0135PD98059167869-21-8MEKMAPKN/APD98059 is a non-ATP competitive MEK inhibitor with IC50 of 2 M, specifically inhibits MEK-1-mediated activation of MAPK; does not directly inhibit ERK1 or ERK2.267.28C16H13NO3DMSO: 52AL0136Regorafenib (BAY 73-4506)755037-03-7c-Kit, Raf, VEGFRProtein Tyrosine KinaseBAY 73-4506Regorafenib (BAY 73-4506) is a multi-target inhibitor for VEGFR1, VEGFR2, VEGFR3, PDGFR, Kit, RET and Raf-1 with IC50 of 13 nM/4.2 nM/46 nM, 22 nM, 7 nM, 1.5 nM and 2.5 nM, respectively.482.82C21H15ClF4N4O3DMSO: 201AL0137WZ80401214265-57-2EGFRProtein Tyrosine KinaseN/AWZ8040 is a novel mutant-selective irreversible EGFRT790M inhibitor, does not inhibit ERBB2 phosphorylation (T798I).481.01C24H25ClN6OSDMSO: 200AL0138XAV-939284028-89-3Wnt/beta-cateninStem Cells & WntN/AXAV-939 selectively inhibits Wnt/-catenin-mediated transcription through tankyrase1/2 inhibition with IC50 of 11 nM/4 nM, regulates axin levels and does not affect CRE, NF-B or TGF-.312.31C14H11F3N2OSDMSO: 38AL0139ENMD-2076934353-76-1Flt, Aurora Kinase, VEGFRAngiogenesisN/AENMD-2076 has selective activity against Aurora A and Flt3 with IC50 of 14 nM and 1.86 nM, 25-fold selective for Aurora A than over Aurora B and less potent to VEGFR2/KDR and VEGFR3, FGFR1 and FGFR2 and PDGFR. Phase 2.375.47C21H25N7DMSO: 280; Water: 3AL0140Danoprevir (ITMN-191)850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5Proteasome, HCV ProteaseProteasesRG7227; ITMN-191; RO5190591Danoprevir(ITMN-191) is a peptidomimetic inhibitor of the NS3/4A protease of hepatitis C virus (HCV) with IC50 of 0.2-3.5 nM, inhibition effect for HCV genotypes 1A/1B/4/5/6 is ~10-fold higher than 2B/3A. Phase 2.731.83C35H46FN5O9SDMSO: 197AL0141Ritonavir155213-67-5HIV ProteaseProteasesNorvir; Norvir SoftgelRitonavir is an antiretroviral drug which inhibits a particular liver enzyme that normally metabolizes protease inhibitors, cytochrome P450-3A4 (CYP3A4).720.94C37H48N6O5S2DMSO: 139AL0142BIBR 1532321674-73-1TelomeraseDNA DamageN/ABIBR 1532 is a potent, selective, non-competitive telomerase inhibitor with IC50 of 100 nM.331.36C21H17NO3DMSO: 199AL0143Anastrozole120511-73-1AromataseEndocrinology & HormonesArimidexAnastrozole is a third-generation nonsteroidal selective aromatase inhibitor.293.37C17H19N5DMSO: 201AL0144Aprepitant170729-80-3Substance POthersMK-0869; MK-869; L-754030; EmendAprepitant is a potent and selective neurokinin-1 receptor antagonist.534.43C23H21F7N4O3DMSO: 200AL0145Bicalutamide90357-06-5Androgen Receptor, P450Endocrinology & HormonesN/ABicalutamide is an androgen receptor (AR) antagonist with IC50 of 0.16 M.430.37C18H14F4N2O4SDMSO: 200AL0146Fulvestrant129453-61-8Estrogen/progestogen ReceptorEndocrinology & HormonesN/AFulvestrant is an estrogen receptor (ER) antagonist with IC50 of 0.094 nM.606.77C32H47F5O3SDMSO: 165AL0147Raltitrexed112887-68-0DNA/RNA SynthesisDNA DamageN/ARaltitrexed is a thymidylate synthase inhibitor with an IC50 of 9 nM for the inhibition of L1210 cell growth.458.49C21H22N4O6SDMSO: 201AL0148Thalidomide50-35-1OthersApoptosisThalomidThalidomide was introduced as a sedative drug, immunomodulatory agent and also is investigated for treating symptoms of many cancers. Thalidomide inhibits an E3 ubiquitin ligase, which is a CRBN-DDB1-Cul4A complex.Phase 3.258.23C13H10N2O4DMSO: 201AL0149CUDC-1011012054-59-9HDAC, EGFR, HER2EpigeneticsN/ACUDC-101 is a potent multi-targeted inhibitor against HDAC, EGFR and HER2 with IC50 of 4.4 nM, 2.4 nM, and 15.7 nM, and inhibits class I/II HDACs, but not class III, Sir-type HDACs. Phase 1.434.49C24H26N4O4DMSO: 46AL0150TAK-700 (Orteronel)566939-85-3P450MetabolismTAK700TAK-700 (Orteronel) is a potent and highly selective human 17,20-lyase inhibitor with IC50 of 38 nM, exhibits >1000-fold selectivity over other CYPs (e.g. 11-hydroxylase and CYP3A4). Phase 3.307.35C18H17N3O2DMSO: 198AL0151Exemestane107868-30-4AromataseEndocrinology & HormonesAromasinExemestane is an aromatase inhibitor, inhibits human placental and rat ovarian aromatase with IC50 of 30 nM and 40 nM, respectively.296.40C20H24O2DMSO: 182AL0152Finasteride98319-26-75-alpha ReductaseEndocrinology & HormonesN/AFinasteride is an inhibitor of steroid Type II 5-reductase.372.54C23H36N2O2DMSO: 201AL0153Irinotecan97682-44-5TopoisomeraseDNA DamageCamptosar; CamptoIrinotecan is a topoisomerase I inhibitor for LoVo cells and HT-29 cells with IC50 of 15.8 M and 5.17 M, respectively.586.68C33H38N4O6DMSO: 12AL0154Cladribine4291-63-8DNA/RNA SynthesisDNA DamageLeustatinCladribine is an adenosine deaminase inhibitor for U266, RPMI8226, and MM1.S cells with IC50 of approximately 2.43 M, 0.75 M, and 0.18 M, respectively.285.69C10H12ClN5O3DMSO: 200AL0155Decitabine2353-33-5DNA/RNA SynthesisEpigeneticsDacogenDecitabine is a potent inhibitor of DNA methylation with IC50 of 438 nM and 4.38 nM in HL-60 and KG1a cells, respectively.228.21C8H12N4O4DMSO: 197; Water: 44AL0156Dimesna16208-51-8OthersOthersBNP7787; Tavocept; BioNumerikDimesna is an uroprotective agent used to decrease urotoxicity.326.34C4H8Na2O6S4DMSO: 199; Water: 199AL0157Dutasteride164656-23-95-alpha ReductaseEndocrinology & HormonesAvodartDutasteride is a dual 5- reductase inhibitor that inhibits conversion of testosterone to dihydrotestosterone (DHT).528.53C27H30F6N2O2DMSO: 117AL0158Melatonin73-31-4OthersOthersMelatonexMelatonin is a hormone produced in the brain by the pineal gland from the amino acid tryptophan. 232.28C13H16N2O2DMSO: 202AL0159PIK-75372196-77-5PI3K, DNA-PKPI3K/Akt/mTORN/APIK-75 is a p110 inhibitor with IC50 of 5.8 nM (200-fold more potently than p110), isoform-specific mutants at Ser773, and also potently inhibits DNA-PK with IC50 of 2 nM.488.74C16H15BrClN5O4SDMSO: 10AL0160Bisoprolol fumarate104344-23-2Adrenergic ReceptorNeuronal SignalingZebetaBisoprolol fumarate is a selective type 1 adrenergic receptor blocker.441.52C22H35NO8DMSO: 199; Water: 199AL0161Tivozanib475108-18-0VEGFR, c-Kit, PDGFRProtein Tyrosine KinaseAV-951Tivozanib (AV-951) is a potent and selective VEGFR inhibitor for VEGFR1/2/3 with IC50 of 30 nM/6.5 nM/15 nM, and also inhibits PDGFR and c-Kit, low activity observed against FGFR-1, Flt3, c-Met EGFR and IGF-1R. Phase 3.454.86C22H19ClN4O5DMSO: 44AL0162Doxorubicin (Adriamycin)25316-40-9TopoisomeraseDNA DamageN/ADoxorubicin (Adriamycin) is an antibiotic agent that inhibits DNA topoisomerase II and induces DNA damage and apoptosis.579.98C27H30ClNO11DMSO: 172; Water: 34AL0163Fluorouracil (5-Fluoracil, 5-FU)51-21-8DNA/RNA SynthesisDNA Damage5-FU; Carac; Efudex; FluoroplexFluorouracil (5-Fluoracil, 5-FU) is an DNA/RNA synthesis inhibitor, which interrupts nucleotide synthetic by inhibiting thymidylate synthase (TS).130.08C4H3FN2O2DMSO: 200AL0164Methotrexate59-05-2DHFRMetabolismMethotrexate; Rheumatrex; TrexallMethotrexate is an antimetabolite and antifolate drug, which acts by inhibiting the metabolism of folic acid.454.44C20H22N8O5DMSO: 198AL0165Imiquimod99011-02-6OthersAngiogenesisAldaraImiquimod is a novel synthetic agent with immune response modifying activity.240.3C14H16N4DMSO: 10AL0166Bendamustine HCl3543-75-7OthersOthersRibomustin; Treanda; SDX-105Bendamustine HCL is a DNA-damaging agent with IC50 of 50 M.394.72C16H22Cl3N3O2DMSO: 198; Water: 5AL0167Nelarabine 121032-29-9DNA/RNA SynthesisDNA DamageArranonNelarabine is a purine nucleoside analog and DNA synthesis inhibitor with IC50 from 0.067-2.15 M in tumor cells.297.27C11H15N5O5DMSO: 202; Water: 10AL0168Bleomycin Sulfate9041-93-4DNA/RNA SynthesisDNA DamageBlenoxaneBleomycin Sulfate is a glycopeptide antibiotic and an anticancer agent for squamous cell carcinomas (SCC) with IC50 of 4 nM in UT-SCC-19A cells.1512.62C55H85N17O25S4DMSO: 66; Water: 66AL0169PFI-11403764-72-6OthersEpigeneticsPF-6405761PFI-1 is a selective BET (bromodomain-containing protein) inhibitor for BRD4 with IC50 of 0.22 M.347.39C16H17N3O4SDMSO: 199AL0170Clofarabine123318-82-1DNA/RNA SynthesisDNA DamageClolar; EvoltraClofarabine inhibits the enzymatic activities of ribonucleotide reductase (IC50 = 65 nM) and DNA polymerase.303.68C10H11ClFN5O3DMSO: 198AL0171YM201636371942-69-7PI3KPI3K/Akt/mTORN/AYM201636 is a selective PIKfyve inhibitor with IC50 of 33 nM, less potent to p110 and insensitive to Fabl (yeast orthologue).467.48C25H21N7O3DMSO: 75AL0172OSI-930728033-96-3c-Kit, VEGFRProtein Tyrosine KinaseN/AOSI-930 is a potent inhibitor of Kit, KDR and CSF-1R with IC50 of 80 nM, 9 nM and 15 nM, respectively; also potent to Flt-1, c-Raf and Lck and low activity against PDGFR/, Flt-3 and Abl. Phase 1.443.44C22H16F3N3O2SDMSO: 201AL0173Dacarbazine4342-03-4DNA/RNA SynthesisDNA DamageDTICDacarbazine is an antineoplastic chemotherapy drug used in the treatment of various cancers.182.18C6H10N6ODMSO: 16AL0174Dexrazoxane HCl (ICRF-187, ADR-529)149003-01-0OthersOthersTotect; ICRF-187; Zinecard; CardioxaneA cardioprotective agent304.73C11H17ClN4O4DMSO: 197; Water: 197AL0175Epirubicin HCl56390-09-1TopoisomeraseDNA DamageEllence; Pharmorubicin; Epirubicin EbeweEpirubicin HCl, a semisynthetic L-arabino derivative of doxorubicin, is an antineoplastic agent by inhibiting Topoisomerase.579.98C27H30ClNO11DMSO: 172; Water: 172AL0176Oxaliplatin61825-94-3DNA/RNA SynthesisDNA DamageEloxatinOxaliplatin inhibits DNA synthesis by conforming DNA adducts.397.29C8H14N2O4PtDMSO: 35; Water: 6-fold selectivity for CDK1/2 than CDK3/4/6. It also potently inhibits Aurora A/B and has no activity on Plk1 and Wee1.394.36C15H12F2N6O3SDMSO: 200AL0193Enzalutamide (MDV3100)915087-33-1Androgen Receptor, P450Endocrinology & HormonesN/AEnzalutamide (MDV3100) is an androgen-receptor (AR) antagonist with IC50 of 36 nM.464.44C21H16F4N4O2SDMSO: 198AL0194Dienogest65928-58-7Estrogen/progestogen ReceptorEndocrinology & HormonesNataziaDienogest is an orally active synthetic progesterone (or progestin). 311.42C20H25NO2DMSO: 199AL0195Entecavir Hydrate209216-23-9OthersOthersBaracludeEntecavir hydrate belongs to the family of medicines called antivirals. 295.29C12H17N5O4DMSO: 200AL0196Nepafenac78281-72-8OthersOthersNevanacNepafenac is a non-steroidal anti-inflammatory agent.254.28C15H14N2O2DMSO: 197AL0197Rufinamide106308-44-5Sodium ChannelTransmembrane TransportersBanzelRufinamide, a triazole derivative, is an anticonvulsant medication.238.19C10H8F2N4ODMSO: 197AL0198Posaconazole171228-49-2OthersOthersNoxafilPosaconazole is a sterol C14 demethylase inhibitor with an IC50 of 0.25 nM.700.78C37H42F2N8O4DMSO: 143AL0199Prasugrel150322-43-3P2 ReceptorNeuronal SignalingEffient; Efient; PrasitaA novel platelet inhibitor 373.44C20H20FNO3SDMSO: 80AL0200Ramelteon196597-26-9OthersGPCR & G ProteinRozerem; TAK-375Ramelteon is a novel melatonin receptor agonist for human MT1 and MT2 receptors and chick forebrain melatonin receptors with Ki of 14 pM, 112 pM and 23.1 pM, respectively.259.34C16H21NO2DMSO: 201AL0201Cinacalcet HCl364782-34-3CaSRGPCR & G ProteinMimpara; SensiparAMG-073 represents a new class of compounds for the treatment of hyperparathyroidism.393.87C22H23ClF3NDMSO: 201AL0202Celecoxib169590-42-5COXNeuronal SignalingCelebrex; CelebraCelecoxib is a selective COX-2 inhibitor with IC50 of 40 nM.381.37C17H14F3N3O2SDMSO: 199AL0203Avagacestat (BMS-708163)1146699-66-2Gamma-secretaseProteasesN/AAvagacestat (BMS-708163) is a potent, selective, orally bioavailable -secretase inhibitor of A40 and A42 with IC50 of 0.3 nM and 0.27 nM, demonstrating a 193-fold selectivity against Notch. Phase 2.520.88C20H17ClF4N4O4SDMSO: 200AL0204CHIR-99021 (CT99021)252917-06-9GSK-3PI3K/Akt/mTORCT99021CHIR-99021 (CT99021) is a GSK-3 and GSK-3 inhibitor with IC50 of 10 nM and 6.7 nM, respectively.465.34C22H18Cl2N8DMSO: 168AL0205PD173074219580-11-7FGFR, VEGFRAngiogenesisN/APD173074 is a potent FGFR1 inhibitor with IC50 of ~25 nM and also inhibits VEGFR2 with IC50 of 100-200 nM, ~1000-fold selective for FGFR1 than PDGFR and c-Src.523.67C28H41N7O3DMSO: 191AL0206WYE-3541062169-56-5mTORPI3K/Akt/mTORN/AWYE-354 is a potent, specific and ATP-competitive inhibitor of mTOR with IC50 of 5 nM, blocks mTORC1/P-S6K(T389) and mTORC2/P-AKT(S473) not P-AKT(T308), selective for mTOR than PI3K (>100-fold) and PI3K (>500-fold). 495.53C24H29N7O5DMSO: 200AL0207Vemurafenib (PLX4032, RG7204)918504-65-1RafMAPKRG7204Vemurafenib (PLX4032, RG7204) is a novel and potent inhibitor of B-RafV600E with IC50 of 31 nM.489.92C23H18ClF2N3O3SDMSO: 198AL0208Acarbose56180-94-0OthersOthersPrandase; Precose; Glucobay; Bay-g 5421Acarbose is an anti-diabetic drug used to treat type 2 diabetes mellitus and, in some countries, prediabetes.645.60C25H43NO18DMSO: 200; Water: 200AL0209BX-795702675-74-9PDK-1, IKKPI3K/Akt/mTORN/ABX795 is a potent and specific PDK1 inhibitor with IC50 of 6 nM, 140- and 1600-fold more selective for PDK1 than PKA and PKC, respectively. Meanwhile, in comparison to GSK3 more than 100-fold selectivity observed for PDK1.591.47C23H26IN7O2SDMSO: 169AL0210BX-912702674-56-4PDK-1PI3K/Akt/mTORN/ABX912 is a potent and specific PDK1 inhibitor with IC50 of 12 nM, 9- and 105- fold greater selectivity for PDK1 than PKA and PKC, respectively. In comparison to GSK3, selectivity for PDK1 is 600-fold.471.35C20H23BrN8ODMSO: 199AL0211Adapalene106685-40-9OthersOthersDifferinAdapalene is a third-generation topical retinoid primarily used in the treatment of acne.412.52C28H28O3DMSO: 19AL0212Altretamine645-05-6OthersOthersHexalenAltretamine is an anti-neoplastic agent.210.28C9H18N6DMSO: 71AL0213Amisulpride71675-85-9Dopamine ReceptorNeuronal SignalingSolianAmisulpride is an atypical antipsychotic used to treat psychosis in schizophrenia and episodes of mania in bipolar disorder.369.48C17H27N3O4SDMSO: 200AL0214Aniracetam72432-10-1AMPA Receptor-kainate Receptor-NMDA ReceptorNeuronal SignalingDraganon; Sarpul; AmpametAniracetam is a nootropics and neuroprotective drug.219.24C12H13NO3DMSO: 201AL0215Artemisinin63968-64-9OthersOthersQinghaosuArtemisinin is a drug used to treat multi-drug resistant strains of falciparum malaria.282.33C15H22O5DMSO: 202AL0216Asenapine65576-45-6, 135883-08-8 (Maleic acid)Adrenergic Receptor, 5-HT ReceptorNeuronal SignalingSaphrisAsenapine inhibits adrenergic receptor (1, 2A, 2B, 2C) with Ki of 0.25-1.2 nM and also inhibits 5-HT receptor (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) with Ki of 0.03-4.0 nM. 401.84C21H20ClNO5DMSO: 199AL0217Benazepril HCl86541-74-4RAASEndocrinology & HormonesLotensinBenazepril is a medication used to treat high blood pressure.460.95C24H29ClN2O5DMSO: 200; Water: 41AL0218Budesonide51333-22-3OthersOthersRhinocort; Pulmicort ; Entocort; Symbicort; Noex. Entocort ECBudesonide is a glucocorticoid steroid for the treatment of asthma, non-infectious rhinitis.430.53C25H34O6DMSO: 200AL0219Bumetanide28395-03-1OthersOthersBumexBumetanide (Bumex) is a loop diuretic of the sulfamyl category to treat heart failure.364.42C17H20N2O5SDMSO: 200AL0220Carmofur61422-45-5AntimetabolitesDNA DamageHCFUCarmofur is a pyrimidine analogue used as an antineoplastic agent.257.26C11H16FN3O3DMSO: 202AL0221Celastrol34157-83-0OthersProteasesN/ACelastrol is a potent proteasome inhibitor for the chymotrypsin-like activity of a purified 20S proteasome with IC50 of 2.5 M. 450.61C29H38O4DMSO: 200AL0222Cetirizine DiHCl83881-52-1Histamine ReceptorNeuronal SignalingZyrtec; ReactineCetirizine DiHCl is an antihistamine.461.81C21H27Cl3N2O3DMSO: 199; Water: 199AL0223Cilnidipine132203-70-4Calcium ChannelTransmembrane TransportersFRC 8653Cilnidipine is a calcium channel blocker.492.52C27H28N2O7DMSO: 201AL0224Cilostazol73963-72-1PDEMetabolismPletalCilostazol is a potent cyclic nucleotide phosphodiesterase type 3 (PDE3) inhibitor with IC50 of 0.2 M and inhibitor of adenosine uptake.369.46C20H27N5O2DMSO: 200AL0225Epothilone A152044-53-6Microtubule AssociatedCytoskeletal SignalingN/AEpothilone A is a Taxol-like microtubule-stabilizing agent with EC0.01 of 2 M.493.66C26H39NO6SDMSO: 201AL0226Floxuridine50-91-9DNA/RNA SynthesisDNA DamageFludara; Fluorodeoxyuridine; FUDR; FdUrd; Floxuridin; FAMPFloxuridine is a prodrugs of floxuridine and an oncology agent with an GI50 of 5.1 M for the inhibition of MDCK/PEPT1.246.19C9H11FN2O5DMSO: 199; Water: 199AL0227FT-20717902-23-7DNA/RNA SynthesisDNA DamageNSC 148958; NSC148958FT-207 (NSC 148958) is a substance being used in the treatment of some types of cancer.200.17C8H9FN2O3DMSO: 200; Water: 40AL0228Ifosfamide3778-73-2DNA/RNA SynthesisDNA DamageMitoxana; IfexIfosfamide is a nitrogen mustard alkylating agent used in the treatment of cancer.261.09C7H15Cl2N2O2PDMSO: 199; Water: 199AL0229Megestrol Acetate595-33-5Androgen ReceptorEndocrinology & HormonesMegace; Megace ESMegestrol Acetate is a synthetic progesteronal agent with an IC50 of 260 M for the inhibition of HegG2.384.51C24H32O4DMSO: 86AL0230Mercaptopurine (6-MP)50-44-2DNA/RNA SynthesisDNA DamagePurinethol; 6-mercaptopurine; 6-MPMercaptopurine is a widely used antileukemic agent and immunosuppressive drug that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA.152.18C5H4N4SDMSO: 197AL0231Streptozotocin (STZ)18883-66-4OthersOthersStreptozocin; Zanosar; STZStreptozotocin is a glucosamine-nitrosourea derivative, which is a methylating, carcinogenic, antibiotic and diabetes inducing agent.265.22C8H15N3O7DMSO: 200; Water: 200AL0232Ki16425355025-24-0LPA ReceptorGPCR & G ProteinN/AKi16425 is a competitive, potent and reversible antagonist to LPA1, LPA2 and LPA3 with Ki of 0.34 M, 6.5 M and 0.93 M, respectively, shows no activity at LPA4, LPA5, LPA6.474.96C23H23ClN2O5SDMSO: 198AL0233Costunolide553-21-9TelomeraseDNA DamageN/ACostunolide, a natural sesquiterpene compound with multiple biological activities; inhibits FPTase with IC50 of 20 M, also inhibits telomerase with IC50 of 65-90 M.232.32C15H20O2DMSO: 202AL0234Dexamethasone (DHAP)50-02-2IL ReceptorOthersDecadronDexamethasone is an anti-inflammatory and immunosuppressant.392.46C22H29FO5DMSO: 201AL0235Doxazosin Mesylate77883-43-3Adrenergic ReceptorNeuronal SignalingCardura; CarduranDoxazosin mesylate is an alpha-1 adrenergic receptor blocker.547.58C24H29N5O8SDMSO: 27AL0236Edaravone89-25-8OthersOthersRadicutEdaravone, a strong novel free radical scavenger, is used for treatment of patients with acute brain infarction.174.20C10H10N2ODMSO: 201AL0237Ellagic acid476-66-4TopoisomeraseDNA DamageN/AEllagic acid has antiproliferative and antioxidant property.302.19C14H6O8DMSO: 10AL0238Etodolac 41340-25-4COXNeuronal SignalingLodine; Lodine XLEtodolac (Lodine) is a COX inhibitor with an IC50 of 53.5 nM.287.35C17H21NO3DMSO: 202AL0239Etomidate33125-97-2GABA ReceptorNeuronal SignalingAmidateEtomidate is a GABAA receptors agonist at GABAA receptors.244.29C14H16N2O2DMSO: 201AL0240Felbamate25451-15-4OthersOthersFelbatolFelbamate (Felbatol) is an anticonvulsant drug used in the treatment of epilepsy.238.24C11H14N2O4DMSO: 201AL0241Fluconazole86386-73-4OthersOthersDiflucan; Trican; AlfumetFluconazole is a triazole antifungal drug used in the treatment and prevention of superficial and systemic fungal infections.306.27C13H12F2N6ODMSO: 199AL0242Flumazenil78755-81-4GABA ReceptorNeuronal SignalingFlumazepil; Ro 15-1788; Anexate; Lanexat; Mazicon; RomaFlumazenil is a benzodiazepine antagonist.303.29C15H14FN3O3DMSO: 16AL0243Fluoxetine HCl56296-78-75-HT ReceptorNeuronal SignalingProzac; SarafemFluoxetine HCl is an antidepressant of the selective serotonin reuptake inhibitor (SSRI)class.345.79C17H19ClF3NODMSO: 200; Water: 12AL0244Flupirtine maleate75507-68-5AntimetabolitesDNA DamageKatadolonFlupirtine maleate is the salt form of Flupirtine, which is a centrally acting non-opioid analgesia, is a selective neuronal potassium channel opener that also has NMDA receptor antagonist properties. Phase 2.420.39C19H21FN4O6DMSO: 200AL0245Fluvoxamine maleate61718-82-95-HT ReceptorNeuronal SignalingLuvoxFluvoxamine maleate is a selective serotonin (5-HT) reuptake inhibitor (SSRI).434.41C19H25F3N2O6DMSO: 200AL0246Gatifloxacin112811-59-3OthersDNA DamageGatiflo;Tequin and ZymarGatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, and inhibits the bacterial enzymes DNA gyrase and topoisomerase IV.375.39C19H22FN3O4DMSO: 19AL0247Genistein446-72-0EGFRProtein Tyrosine KinaseN/AGenistein, a phytoestrogen found in soy products, is a highly specific inhibitor of protein tyrosine kinase (PTK) which blocks the mitogenic effect mediated by EGF on NIH-3T3 cells with IC50 of 12M or by insulin with IC50 of 19 M. 270.24C15H10O5DMSO: 200AL0248Ginkgolide B15291-77-7PAFROthersBN 52021Ginkgolide B is a PAFR antagonist with IC50 of 3.6 M.424.40C20H24O10DMSO: 200AL0249Glimepiride93479-97-1DPP-4ProteasesAmaryl; Glista ODGlimepiride is a medium-to-long acting sulfonylurea anti-diabetic compound with an ED50 of 182 g/kg.490.62C24H34N4O5SDMSO: 22AL0250Ivermectin70288-86-7OthersOthersStromectolIvermectin is a broad-spectrum antiparasitic medication.875.09C48H74O14DMSO: 200AL0251TG100-115677297-51-7PI3KPI3K/Akt/mTORN/ATG100115 is a PI3K/ inhibitor with IC50 of 83 nM/235 nM, with little effect on PI3K/. Phase 1/2.346.34C18H14N6O2DMSO: 26AL0252Ketoconazole65277-42-1P450MetabolismNizoral; Extina; Xolegel; KuricKetoconazole inhibits cyclosporine oxidase and testosterone 6 beta-hydroxylase with IC50 of 0.19 mM and 0.22 mM, respectively.531.43C26H28Cl2N4O4DMSO: 10AL0253Lansoprazole103577-45-3Proton PumpTransmembrane TransportersPrevacid; Prevacid NapraPAC; Prevacid SoluTabLansoprazole is a proton-pump inhibitor (PPI) which prevents the stomach from producing gastric acid.369.36C16H14F3N3O2SDMSO: 200AL0254Levetiracetam102767-28-2OthersOthersKeppra; Keppra XRLevetiracetam is an antiepileptic compound.170.21C8H14N2O2DMSO: 200; Water: 200AL0255Lidocaine137-58-6Histamine ReceptorNeuronal SignalingAlphacaine; Xylocaine; lignocaineLidocaine is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 M.234.34C14H22N2ODMSO: 201; Water: 38AL0256Loratadine79794-75-5Histamine ReceptorNeuronal SignalingAlavert; ClaritinLoratadine is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 M.382.88C22H23ClN2O2DMSO: 44AL0257Losartan Potassium (DuP 753)124750-99-8RAASEndocrinology & HormonesCozaarLosartan is an angiotensin II receptor antagonist, competes with the binding of angiotensin II to AT1 receptors with IC50 of 20 nM.462.01C22H23ClKN6ODMSO: 199; Water: 199AL0258MGCD-265875337-44-3c-Met, VEGFR, Tie-2Protein Tyrosine KinaseN/AMGCD-265 is a potent, multi-target and ATP-competitive inhibitor of c-Met and VEGFR1/2/3 with IC50 of 1 nM, 3 nM/3 nM/4 nM, respectively; also inhibits Ron and Tie2. Phase 1/2.517.60C26H20FN5O2S2DMSO: 201AL0259Rigosertib (ON-01910)1225497-78-8PLKCell CycleON-01910Rigosertib (ON-01910) is a non-ATP-competitive inhibitor of PLK1 with IC50 of 9 nM. It shows 30-fold greater selectivity against Plk2 and no activity to Plk3. Phase 3.473.47C21H24NNaO8SDMSO: 201; Water: 201AL0260Ki8751228559-41-9VEGFR, c-Kit, PDGFRProtein Tyrosine KinaseN/AKi8751 is a potent and selective inhibitor of VEGFR2 with IC50 of 0.9 nM, >40-fold selective for VEGFR2 than c-Kit, PDGFR and FGFR-2, little activity to EGFR, HGFR and InsR.469.41C24H18F3N3O4DMSO: 100AL0261Epothilone B (EPO906, Patupilone)152044-54-7Microtubule AssociatedCytoskeletal SignalingN/AEpothilone B is a Taxol-like microtubule-stabilizing agent with EC0.01 of 1.8 M. Phase 2.507.68C27H41NO6SDMSO: 201AL0262BMS-707035729607-74-3IntegraseMicrobiologyN/ABMS-707035 is a specific HIV-I integrase (IN) inhibitor with IC50 of 15 nM. Phase 2.410.42C17H19FN4O5SDMSO: 93AL0263Amonafide69408-81-7TopoisomeraseDNA DamageAS1413; Xanafide; QuinamedAmonafide produces protein-associated DNA-strand breaks through a topoisomerase II-mediated reaction, but does not produce topoisomerase I-mediated DNA cleavage. Phase 3.283.33C16H17N3O2DMSO: 201AL0264Acitretin55079-83-9OthersOthersSoriataneAcitretin is a second generation retinoid used for psoriasis.326.43C21H26O3DMSO: 61AL0265Bafetinib (INNO-406)859212-16-1Bcr-AblAngiogenesisNS-187Bafetinib (INNO-406) is a potent and selective dual Bcr-Abl/Lyn inhibitor with IC50 of 5.8 nM/19 nM in cell-free assays, does not inhibit the phosphorylation of the T315I mutant and is less potent to PDGFR and c-Kit. Phase 2. 576.62C30H31F3N8ODMSO: 173AL0266Doripenem Hydrate364622-82-2OthersOthersS-4661Doripenem Hydrate is an ultra-broad spectrum injectable antibiotic.438.52C15H26N4O7S2DMSO: 82; Water: 59AL0267Gestodene60282-87-3Estrogen/progestogen ReceptorEndocrinology & HormonesN/AGestodene is a progestogen hormonal contraceptive.310.43C21H26O2DMSO: 200AL0268Drospirenone67392-87-4Estrogen/progestogen ReceptorEndocrinology & HormonesAngeliqDrospirenone is a synthetic progestin that is an analog to spironolactone.366.49C24H30O3DMSO: 199AL0269Ruxolitinib (INCB018424)941678-49-5JAKJAK/STATN/AINCB018424 is the first potent, selective, JAK1/2 inhibitor to enter the clinic with IC50 of 3.3 nM/2.8 nM, >130-fold selectivity for JAK1/2 versus JAK3. Phase 3.306.37C17H18N6DMSO: 199AL0270Isotretinoin4759-48-2HydroxylaseMetabolismAccutane; Amnesteem; Claravis; SotretIt was developed to be used as a chemotherapy medication for the treatment of brain cancer, pancreatic cancer and more.300.44C20H28O2DMSO: 200AL0271Lopinavir192725-17-0HIV ProteaseProteasesABT-378Lopinavir is a potent HIV protease inhibitor with Ki of 1.3 pM.628.80C37H48N4O5DMSO: 200AL0272Meropenem96036-03-2OthersOthersMerrem; MeronemMeropenem is an ultra-broad spectrum injectable antibiotic.383.46C17H25N3O5SDMSO: 198; Water: 21AL0273Mianserin HCl21535-47-7OthersNeuronal SignalingBolvidon; Norval; TolvonMianserin HCl is a psychoactive agent of the tetracyclic antidepressant.300.83C18H21ClN2DMSO: 199; Water: 100AL0274Mosapride Citrate112885-42-45-HT ReceptorNeuronal SignalingTAK-370; AS-4370; GasmotMosapride Citrate is a gastroprokinetic agent that acts as a selective 5HT4 agonist.614.02C27H33ClFN3O10DMSO: 147AL0275Nafamostat Mesylate82956-11-4ProteasomeProteasesFuthan; FUT-175Nafamostat Mesylate is an anticoagulant.Phase 4.539.58C21H25N5O8S2DMSO: 37; Water: 98AL0276Naftopidil DiHCl57149-08-3Adrenergic ReceptorNeuronal SignalingFlivas; KT-611; AvishotNaftopidil DiHCl is a selective 5-HT1A and 1-adrenergic receptor antagonist with IC50 of 0.1 M and 0.2 M, respectively. Phase 3. 465.41C24H30Cl2N2O3DMSO: 88AL0277Omeprazole 73590-58-6Proton Pump, ATPaseTransmembrane TransportersLosec; Omesec; Prilosec; ZegeridOmeprazole(Prilosec) is a proton pump inhibitor used in the treatment of dyspepsia.345.42C17H19N3O3SDMSO: 200AL0278Ondansetron HCl99614-01-45-HT ReceptorNeuronal SignalingOndemet; Emeset; EmetronOndansetron HCl is a serotonin 5-HT3 receptor antagonist. 329.82C18H20ClN3ODMSO: 200; Water: 73AL0279Oxcarbazepine28721-07-5Sodium ChannelTransmembrane TransportersTrileptalOxcarbazepine inhibits the binding of [3H]BTX to sodium channels with IC50 of 160 M and also inhibits the influx of 22Na+ into rat brain synaptosomes with IC50 about 100 M.252.27C15H12N2O2DMSO: 28AL0280Pelitinib 257933-82-7EGFRProtein Tyrosine KinaseWAY-EKB 569; EKB-569; EKB569Pelitinib (EKB-569) is a potent irreversible EGFR inhibitor with IC50 of 38.5 nM. Phase2.467.92C24H23ClFN5O2DMSO: 28AL0281Pirarubicin72496-41-4TopoisomeraseDNA DamageN/APirarubicin is an anthracycline antibiotic, and also a DNA/RNA synthesis inhibitor by intercalating into DNA and interacts with topoisomerase II, used as an antineoplastic agent.627.64C32H37NO12DMSO: 11AL0282Pizotifen Malate5189-11-7OthersOthersSandomigran; pizotylinePizotifen Malate is a benzocycloheptane based agent used for recurrent migraine headaches.429.53C23H27NO5SDMSO: 49AL0283Resveratrol501-36-0SirtuinEpigeneticsN/AResveratrol is a phytoalexin produced naturally by several plants with anti-cancer, anti-inflammatory, blood-sugar-lowering and other beneficial cardiovascular effects.228.24C14H12O3DMSO: 197AL0284Rocuronium Bromide119302-91-9AChRNeuronal SignalingZemuron; EsmeronRocuronium Bromide is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant.609.68C32H53BrN2O4DMSO: 200; Water: 200AL0285Stavudine (d4T)3056-17-5Reverse TranscriptaseMicrobiologyZeritStavudine is a nucleoside analog reverse transcriptase inhibitor (NARTI) active against HIV. 224.21C10H12N2O4DMSO: 201AL0286Tenofovir Disoproxil Fumarate202138-50-9Reverse TranscriptaseMicrobiologyVireadTenofovir Disoproxil Fumarate belongs to a class of antiretroviral drugs, it inhibits the activity of HIV reverse transcriptase by competing with the natural substrate deoxyadenosine 5-triphosphate and, after incorporation into DNA, by DNA chain termination.635.51C23H34N5O14PDMSO: 201AL0287Tenofovir 147127-20-6Reverse TranscriptaseMicrobiologyVireadTenofovir blocks reverse transcriptase and hepatitis B virus infections.287.21C9H14N5O4PDMSO: 14; Water: 7AL0288Tigecycline220620-09-7OthersOthersTygacil; GAR-936; WAY-GAR-936; TBG-MINOTigecycline is bacteriostatic and is a protein synthesis inhibitor by binding to the 30S ribosomal subunit of bacteria and thereby blocking entry of Aminoacyl-tRNA into the A site of the ribosome during prokaryotic translation.585.65C29H39N5O8DMSO: 171; Water: 171AL0289Trilostane13647-35-3DehydrogenaseMetabolismVetorylTrilostane is an inhibitor of 3 -hydroxysteroid dehydrogenase used in the treatment of Cushings syndrome.329.43C20H27NO3DMSO: 197AL0290Vecuronium Bromide50700-72-6OthersOthersNorcuron; Org NC 45Vecuronium Bromide is a muscle relaxant in the category of non-depolarizing blocking agents.637.73C34H57BrN2O4DMSO: 157; Water: 6AL0291Bimatoprost155206-00-1OthersOthersLumiganBimatoprost is a prostaglandin analog used topically (as eye drops) to control the progression of glaucoma and in the management of ocular hypertension.415.57C25H37NO4DMSO: 87AL0292Linezolid165800-03-3OthersOthersZyvoxid; ZyvoxamLinezolid is a synthetic antibiotic used for the treatment of serious infections. 337.35C16H20FN3O4DMSO: 199AL0293Alfuzosin HCl 81403-68-1Adrenergic ReceptorNeuronal SignalingUroxatralAlfuzosin(Uroxatral) is an alpha1 receptor antagonist used to treat benign prostatic hyperplasia (BPH). 425.91C19H28ClN5O4DMSO: 200; Water: 200AL0294Clopidogrel120202-66-6P2 ReceptorNeuronal SignalingIscoverClopidogrel (Plavix) is an oral, thienopyridine class antiplatelet agent.419.90C16H18ClNO6S2DMSO: 198; Water: 186AL0295Droxinostat99873-43-5HDACCytoskeletal SignalingN/ADroxinostat (CMH, 5809354) is a selective inhibitor of HDAC, mostly for HDACs 6 and 8 with IC50 of 2.47M and 1.46 M, greater than 8-fold selective against HDAC3 and no inhibition to HDAC1, 2, 4, 5, 7, 9, and 10.243.69C11H14ClNO3DMSO: 201AL0296Prazosin HCl19237-84-4Adrenergic ReceptorGPCR & G ProteinMinipress;Vasoflex;Pressin and HypovasePrazosin HCl is a competitive alpha-1 adrenoceptor antagonist, used to treat high blood pressure or benign prostatic hyperplasia.419.86C19H22ClN5O4DMSO: 10AL0297Ranolazine 2HCl95635-56-6Calcium ChannelTransmembrane TransportersRS 43285-193; RS-43285; Ranexa; renolazineRanolazine 2HCl, is an antianginal medication.500.46C24H35Cl2N3O4DMSO: 200; Water: 200AL0298Repaglinide135062-02-1Potassium ChannelTransmembrane TransportersPrandin; GlucoNorm; NovoNormRepaglinide is for the treatment of type II diabetes.452.59C27H36N2O4DMSO: 201AL0299Rolipram61413-54-5PDEMetabolismN/ARolipram is a PDE4-inhibitor and an anti-inflammatory agent.Phase 1.275.34C16H21NO3DMSO: 200AL0300Sildenafil Citrate171599-83-0PDEMetabolismViagra; RevatioSildenafil, a selective inhibitor of cyclic guanosine monophosphate (cGMP)-specific phosphodiesterase type 5 (PDE5), is a well-tolerated and highly effective treatment for erectile dysfunction.666.70C28H38N6O11SDMSO: 30AL0301Sumatriptan Succinate103628-48-45-HT ReceptorNeuronal SignalingImigran; mitrex; Imitrex; Suminat; SumitrexSumatriptan Succinate is a triptan sulfa drug containing a sulfonamide group for the treatment of migraine headaches.413.49C18H27N3O6SDMSO: 201; Water: 201AL0302Tamsulosin106463-17-6, 106133-20-4 (free base)OthersOthersTamsulosin hydrochloride is an antagonist of alpha1A adrenoceptors in the prostate.444.97C20H29ClN2O5SDMSO: 200AL0303Tianeptine sodium30123-17-25-HT ReceptorNeuronal SignalingStablon; Coaxil; TatinolTianeptine is a selective serotonin reuptake enhancer (SSRE) compound used for treating major depressive episodes.458.93C21H24ClN2NaO4SDMSO: 198; Water: 198AL0304Tizanidine HCl64461-82-1Adrenergic ReceptorNeuronal SignalingZanaflex; SirdaludTizanidine HCl is an 2-adrenergic receptor agonist and inhibits neurotransmitter release from CNS noradrenergic neurons.290.17C9H9Cl2N5SDMSO: 34; Water: 52AL0305Topiramate97240-79-4Carbonic AnhydraseMetabolismTopamaxTopiramate is an anticonvulsant compound.339.36C12H21NO8SDMSO: 200AL0306Tranilast53902-12-8OthersOthersRizaben; MK 341; TranproTranilast is an antiallergic compound.327.33C18H17NO5DMSO: 202AL0307Venlafaxine99300-78-45-HT ReceptorNeuronal SignalingEffexor; EfexorVenlafaxine is an arylalkanolamine serotonin-norepinephrine reuptake inhibitor (SNRI).313.86C17H28ClNO2DMSO: 177; Water: 177AL0308Voriconazole137234-62-9P450MetabolismVfendVoriconazole is a new triazole derivative similar to fluconazole and itraconazole that acts by inhibiting fungal cytochrome P-450-dependent, 14-alpha-sterol demethylase-mediated synthesis of ergosterol.349.31C16H14F3N5ODMSO: 200AL0309Zileuton111406-87-2OthersOthersZYFLOZileuton is an orally active inhibitor of 5-lipoxygenase, and thus inhibits leukotrienes (LTB4, LTC4, LTD4, and LTE4) formation.236.29C11H12N2O2SDMSO: 199AL0310Ziprasidone HCl122883-93-6OthersOthersGeodon; ZeldoxZiprasidone HCl was the fifth atypical antipsychotic.449.40C21H22Cl2N4OSDMSO: 200AL0311Zonisamide68291-97-4OthersOthersZonegranZonisamide is a sulfonamide anticonvulsant approved for use as an adjunctive.212.23C8H8N2O3SDMSO: 198AL0312Aurora A Inhibitor I1158838-45-9Aurora KinaseCell CycleN/AAurora A Inhibitor I is a novel, potent, and selective inhibitor of Aurora A with IC50 of 3.4 nM. It is 1000-fold more selective for Aurora A than Aurora B.588.07C31H31ClFN7O2DMSO: 201AL0313Ispinesib336113-53-2KinesinCytoskeletal SignalingSB-715992; SB715992Ispinesib (SB-715992, CK0238273) is a potent, specific and reversible inhibitor of kinesin spindle protein (KSP) with Ki app of 1.7 nM, no inhibition to CENP-E, RabK6, MCAK, MKLP1, KHC or Kif1A. Phase 1/2.517.06C30H33ClN4O2DMSO: 199AL0314Tipifarnib 192185-72-1Farnesyltransferase, RasMetabolismR115777Tipifarnib (R115777) is a potent and specific farnesyltransferase (FTase) inhibitor with IC50 of 0.6 nM, its anti-proliferative effects are most prominent in H-ras or N-ras mutant cells. Phase 3. 489.40C27H22Cl2N4ODMSO: 29AL0315PHA-680632398493-79-3Aurora KinaseCell CycleN/APHA-680632 is potent inhibitor of Aurora A, Aurora B and Aurora C with IC50 of 27 nM, 135 nM and 120 nM, respectively. It has 10- to 200-fold higher IC50 for FGFR1, FLT3, LCK, PLK1, STLK2, and VEGFR2/3. 501.62C28H35N7O2DMSO: 199AL0316Cilomilast153259-65-5PDEMetabolismN/ACilomilast is a potent PDE4 inhibitor with IC50 of about 110 nM, has anti-inflammatory activity and low central nervous system activity.343.42C20H25NO4DMSO: 201AL0317Zibotentan (ZD4054)186497-07-4ETA ReceptorGPCR & G ProteinN/AZibotentan (ZD4054) is a specific Endothelin (ET)A antagonist with IC50 of 21 nM, exhibiting no activity at ETB. Phase 3.424.43C19H16N6O4SDMSO: 57AL0318Atazanavir Sulfate229975-97-7HIV ProteaseProteasesBMS-232632-05; ReyatazAtazanavir is a HIV protease inhibitor with Ki of 2.66 nM.802.93C38H54N6O11SDMSO: 130AL0319VX-745209410-46-8p38 MAPKMAPKN/AVX-745 is a potent and selective inhibitor of p38 with IC50 of 10 nM, 22-fold greater selectivity versus p38 and no inhibition to p38.436.26C19H9Cl2F2N3OSDMSO: 34AL0320Thiazovivin1226056-71-8ROCKCell CycleN/AThiazovivin (Tzv) is a novel ROCK inhibitor with IC50 of 0.5 M, promotes hESC survival after single-cell dissociation.311.36C15H13N5OSDMSO: 48AL0321SP600125129-56-6JNKMAPKN/ASP600125 is a broad-spectrum JNK inhibitor for JNK1, JNK2 and JNK3 with IC50 of 40 nM, 40 nM and 90 nM, respectively; 10-fold greater selectivity against MKK4, 25-fold greater selectivity against MKK3, MKK6, PKB, and PKC, and 100-fold selectivity against ERK2, p38, Chk1, EGFR etc.220.23C14H8N2ODMSO: 200AL0322AZD64821173900-33-8PI3KPI3K/Akt/mTORN/AAZD6482 is a PI3K inhibitor with IC50 of 10 nM, 8-, 87- and 109-fold more selective to PI3K than PI3K, PI3K and PI3K. Phase 1.408.45C22H24N4O4DMSO: 201AL0323Ofloxacin82419-36-1TopoisomeraseDNA DamageDL-8280; HOE-280; Exocin; Flobacin; Floxin; Floxil; MonoflocetOfloxacin is a synthetic broad-spectrum antimicrobial agent.361.37C18H20FN3O4DMSO: 10AL0324Marbofloxacin115550-35-1OthersDNA DamageMarbocyl; ZeniquinMarbofloxacin is a potent antibiotic inhibiting bacterial DNA replication.362.36C17H19FN4O4DMSO: 10AL0325Moxifloxacin HCl186826-86-8TopoisomeraseDNA DamageAvelox; AvaloxMoxifloxacin is a fourth-generation synthetic fluoroquinolone antibacterial agent.437.89C21H25ClFN3O4DMSO: 201AL0326Doxercalciferol54573-75-0OthersOthersHectorolDoxercalciferol is a synthetic analog of vitamin D.412.65C28H44O2DMSO: 201AL0327Alfacalcidol41294-56-8OthersEndocrinology & HormonesAlpha D3; EtalphaAlfacalcidol is a non-selective VDR activator medication.400.64C27H44O2DMSO: 200AL0328Calcifediol19356-17-3OthersOthersCalcidiol; Didrogyl; HidroferolCalcifediol is a major circulating metabolite of vitamin D3 and acts as a competitive inhibitor with an apparent Ki of 3.9 M. It also suppresses PTH secretion and mRNA (ED50=2 nM).400.64C27H44O2DMSO: 200AL0329TSU-68 (SU6668, Orantinib)252916-29-3VEGFR, PDGFR , FGFRProtein Tyrosine KinaseSU6668SU6668 has greatest potency against PDGFR autophosphorylation with Ki of 8 nM, but also strongly inhibits Flk-1 and FGFR1 trans-phosphorylation, little activity against IGF-1R, Met, Src, Lck, Zap70, Abl and CDK2; does not inhibit EGFR. Phase 3.310.35C18H18N2O3DMSO: 200AL0330Safinamide Mesylate202825-46-5MAOMetabolismFCE-28073(R-isomer); PNU-151774E; NW-1015Safinamide Mesylate is mesylate salt of Safinamide, selectively and reversibly inhibits MAO-B with IC50 of 98 nM, exhibits 5918-fold selectivity against MAO-A. Phase 3.398.45C18H23FN2O5SDMSO: 201; Water: 201AL0331GSK429286A864082-47-3ROCKCell CycleN/AGSK429286A is a selective inhibitor of ROCK1 and ROCK2 with IC50 of 14 nM and 63 nM, respectively.432.37C21H16F4N4O2DMSO: 201AL0332Pimasertib (AS-703026)1236699-92-5MEKMAPKN/AAS-703026 is a highly selective, potent, ATP non-competitive allosteric inhibitor of MEK1/2 with IC50 of 5 nM-2 M in MM cell lines. Phase 1/2.431.20C15H15FIN3O3DMSO: 199AL0333SB525334356559-20-1TGF-beta/SmadTGF-beta/SmadN/ASB525334 is a potent and selective inhibitor of TGF receptor I (ALK5) with IC50 of 14.3 nM, is 4-fold less potent to ALK4 than ALK5 and inactive to ALK2, 3, and 6.343.42C21H21N5DMSO: 198AL0334VX-2221026785-55-6HCV ProteaseProteasesVCH222; VCH-222; LomibuvirVX-222 (VCH-222) is a novel, potent and selective inhibitor of HCV polymerase with IC50 of 0.94-1.2 M, 15.3-fold less effective for mutant M423T, and 108-fold less effective for mutant I482L. Phase 2.445.61C25H35NO4SDMSO: 200AL0335Zosuquidar (LY335979) 3HCl167465-36-3P-gpTransmembrane TransportersRS-33295-198Zosuquidar (LY335979) is a potent modulator of P-glycoprotein-mediated multi-drug resistance with Ki of 60 nM. Phase 3.636.99C32H34Cl3F2N3O2DMSO: 157; Water: 36AL0336Daclatasvir (BMS-790052)1009119-64-5HCV ProteaseProteasesN/ABMS-790052 is a highly selective inhibitor of HCV NS5A with EC50 of 9-50 pM, for a broad range of HCV replicon genotypes and the JFH-1 genotype 2a infectious virus in cell culture. Phase 3.738.88C40H50N8O6DMSO: 200AL0337Iloperidone133454-47-4OthersOthersFanapta; ZomarilIloperidone is an atypical antipsychotic for the treatment of schizophrenia.426.48C24H27FN2O4DMSO: 63AL0338MC1568852475-26-4HDACCytoskeletal SignalingN/AMC1568 is a selective HDAC inhibitor for maize HD1-A with IC50 of 100 nM. It is 34-fold more selective for HD1-A than HD1-B.314.31C17H15FN2O3DMSO: 41AL0339HMN-214173529-46-9PLKCell CycleN/AHMN-214 is a prodrug of HMN-176, which alters the cellular spatial orientation of Plk1.424.47C22H20N2O5SDMSO: 28AL0340AEE788497839-62-0EGFR, Flt, VEGFR, HER2Protein Tyrosine KinaseNVP-AEE788; NVPAEE788AEE788 is a potent inhibitor of EGFR and HER2/ErbB2 with IC50 of 2 nM and 6 nM, less potent to VEGFR2/KDR, c-Abl, c-Src, and Flt-1, does not inhibit Ins-R, IGF-1R, PKC and CDK1. Phase 1/2.440.58C27H32N6DMSO: 200AL0341PHA-793887718630-59-2CDKCell CycleN/APHA-793887 is a novel and potent inhibitor of CDK2, CDK5 and CDK7 with IC50 of 8 nM, 5 nM and 10 nM. It is greater than 6-fold more selective for CDK2, 5, and 7 than CDK1, 4, and 9. Phase 1.361.48C19H31N5O2DMSO: 199AL0342Naratriptan 143388-64-15-HT ReceptorNeuronal SignalingAmerge; NaramigNaratriptan (Amerge) is a triptan agent that is used for the treatment of migraine headaches.371.93C17H26ClN3O2SDMSO: 199; Water: 59AL0343PIK-93593960-11-3PI3K, VEGFRPI3K/Akt/mTORN/APIK-93 is the first potent, synthetic PI4K (PI4KIII) inhibitor with IC50 of 19 nM; shown to inhibit PI3K with IC50 of 39 nM.389.88C14H16ClN3O4S2DMSO: 200AL0344Ponatinib (AP24534)943319-70-8Bcr-Abl, VEGFR, FGFR, PDGFR, FltAngiogenesisN/APonatinib (AP24534) is a novel, potent multi-target inhibitor of Abl, PDGFR, VEGFR2, FGFR1 and Src with IC50 of 0.37 nM, 1.1 nM, 1.5 nM, 2.2 nM and 5.4 nM, respectively.532.56C29H27F3N6ODMSO: 56AL0345Fludarabine21679-14-1STAT, DNA/RNA SynthesisJAK/STATF-ara-A; NSC 118218Fludarabine is a STAT1 activation inhibitor and a DNA synthesis inhibitor in Vascular smooth muscle cells.285.23C10H12FN5O4DMSO: 200AL0346Pralatrexate 146464-95-1DHFRMetabolismFolotynPralatrexate(Folotyn) is an antifolate, and structurally a folate analog. Its IC50 is < 300 nM in some cell lines.477.47C23H23N7O5DMSO: 59AL0347Betamethasone 378-44-9OthersOthersCelestone; Betadexamethasone; Flubenisolone; Sch-4831; NCS-39470Betamethasone is a glucocorticoid steroid with anti-inflammatory and immunosuppressive properties.392.46C22H29FO5DMSO: 201AL0348Mycophenolate Mofetil128794-94-5OthersMetabolismCellCept; RS 61443; TM-MMFMycophenolate Mofetil is a non-competitive, selective and reversible inhibitor of inosine monophosphate dehydrogenase I/II with IC50 of 39 nM and 27 nM, respectively.433.49C23H31NO7DMSO: 198AL0349Dyphylline479-18-5PDEMetabolismNeothylline; Lufyllin; diprophyllineDyphylline is a xanthine derivative with bronchodilator and vasodilator effects.254.24C10H14N4O4DMSO: 201; Water: 201AL0350Aztreonam78110-38-0OthersOthersMonobactam; SQ 26776; Squibb 26776Aztreonam is a synthetic monocyclic beta-lactam antibiotic.435.43C13H17N5O8S2DMSO: 200; Water: 25AL0351Irbesartan138402-11-6RAASEndocrinology & HormonesBMS-186295; SR-47436Irbesartan (SR-47436, BMS-186295) is a highly potent and specific angiotensin II type 1 (AT1) receptor antagonist with IC50 of 1.3 nM.428.53C25H28N6ODMSO: 10AL0352Alprostadil745-65-3OthersOthersProstaglandin E1; Edex; Muse; LiprostinAlprostadil is used as a drug in the treatment of erectile dysfunction and has vasodilatory properties.354.48C20H34O5DMSO: 200AL0353Norfloxacin70458-96-7TopoisomeraseDNA DamageChibroxin; MK-366; Baccidal; Sebercim; ZoroxinNorfloxacin is a broad-spectrum antibiotic.319.33C16H18FN3O3DMSO: 10AL0354Lactulose 4618-18-2OthersOthersN/ALactulose, a disaccharide composed of galactose and fructose, is a stimulator of health-promoting bacterium growth in the gastrointestinal tract, used to treat chronic constipation and hepatic encephalopathy.342.3C12H22O11DMSO: 199; Water: 199AL0355Tadalafil171596-29-5PDEMetabolismIC 351Tadalafil is a PDE-5 inhibitor with IC50 of 1.8 nM.389.40C22H19N3O4DMSO: 200AL0356Cyclosporine 79217-60-0OthersOthersSandimmune; Gengraf; Restasis; Atopica; SangcyaCyclosporine (Neoral) is an immunosuppressant drug.1202.61C62H111N11O12DMSO: 83AL0357Pracinostat (SB939)929016-96-6HDACCytoskeletal SignalingN/ASB939 is a potent pan-HDAC inhibitor with IC50 of 40-140 nM with exception for HDAC6. It has no activity against the class III isoenzyme SIRT I. Phase 2.358.48C20H30N4O2DMSO: 201AL0358Natamycin 7681-93-8OthersOthersPimaricinNatamycin is a naturally occurring antifungal agent.665.73C33H47NO13DMSO: 11AL0359SAR245409 (XL765)1349796-36-6PI3K, mTORPI3K/Akt/mTORN/ASAR245409 (XL765) is a dual inhibitor of mTOR/PI3K, mostly for p110 with IC50 of 9 nM; also inhibits DNA-PK and mTOR. Phase 1/2.599.66C31H29N5O6SDMSO: 20AL0360AT7519844442-38-2CDKCell CycleN/AAT7519 is a multi-CDK inhibitor for CDK1, 2, 4, 6 and 9 with IC50 of 10-210 nM. It is less potent to CDK3 and little active to CDK7. Phase 1.382.24C16H17Cl2N5O2DMSO: 26AL0361MK-1775955365-80-7Wee1Cell CycleN/AMK-1775 is a potent and selective Wee1 inhibitor with IC50 of 5.2 nM; hinders G2 DNA damage checkpoint. Phase 2.500.60C27H32N8O2DMSO: 160; Water: 450-fold selectivity over other angiogenic receptors, has antiangiogenic and antitumor activity.417.50C24H27N5O2DMSO: 67AL0371DMXAA (Vadimezan)117570-53-3VDAAngiogenesisAS-1404; 5;6-MeXAA; NSC-640488; VadimezanDMXAA (Vadimezan) is a vascular disrupting agents (VDA) and competitive inhibitor of DT-diaphorase with Ki of 20 M and IC50 of 62.5 M, respectively. Phase 3.282.29C17H14O4DMSO: 25AL0372Telaprevir (VX-950)402957-28-2HCV ProteaseProteasesLY-570310; MP-424Telaprevir (VX-950) is an HCV NS3-4A serine protease inhibitor with IC50 of 0.35 M.679.85C36H53N7O6DMSO: 200AL0373Saxagliptin361442-04-8DPP-4ProteasesN/ASaxagliptin is a selective and reversible DPP4 inhibitor with IC50 of 26 nM.315.41C18H25N3O2DMSO: 200; Water: 200AL0374EX 527 (Selisistat)49843-98-3SirtuinEpigeneticsSEN0014196EX 527 is a potent and selective SIRT1 inhibitor with IC50 of 38 nM, exhibits >200-fold selectivity against SIRT2 and SIRT3.248.71C13H13ClN2ODMSO: 201AL0375AM1241444912-48-5Cannabinoid ReceptorGPCR & G ProteinAM1241AM-1241 is a selective cannabinoid CB2 receptor agonist with Ki of 3.4 nM, exhibits 82-fold selectivity over CB1 receptor.503.33C22H22IN3O3DMSO: 201AL0376SB408124288150-92-5OthersGPCR & G ProteinN/ASB408124 (Tocris-1963) is a non-peptide antagonist for OX1 receptor with Ki of 57 nM and27 nM in both whole cell and membrane, respectively, exhibits 50-fold selectivity over OX2 receptor.356.37C19H18F2N4ODMSO: 101AL0377Febuxostat144060-53-7OthersOthersAdenuricFebuxostat is selective xanthine oxidase inhibitor with Ki of 0.6 nM.316.37C16H16N2O3SDMSO: 199AL0378Dapagliflozin461432-26-8SGLTGPCR & G ProteinBMS-512148Dapagliflozin is a potent and selective hSGLT2 inhibitor with EC50 of 1.1 nM, exhibiting 1200-fold selectivity over hSGLT1. Phase 3.408.87C21H25ClO6DMSO: 201AL0379Nebivolol 152520-56-4Adrenergic ReceptorNeuronal SignalingN/ANebivolol selectively inhibits 1-adrenoceptor with IC50 of 0.8 nM.441.90C22H26ClF2NO4DMSO: 199AL0380Pimobendan74150-27-9PDEMetabolismAcardi; pimobendanePimobendan is a selective inhibitor of PDE3 with IC50 of 0.32 M.334.37C19H18N4O2DMSO: 200AL0381AZD80551009298-09-2mTORPI3K/Akt/mTORN/AAZD8055 is a novel ATP-competitive mTOR inhibitor with IC50 of 0.8 nM with excellent selectivity (1,000-fold) against PI3K isoforms and ATM/DNA-PK. Phase 1.465.54C25H31N5O4DMSO: 107AL0382PHT-4271191951-57-1Akt, PDK-1PI3K/Akt/mTORN/APHT-427 is a dual Akt and PDPK1 inhibitor (high affinity binding for the PH domains of Akt and PDPK1) with Ki of 2.7 M and 5.2 M, respectively.409.61C20H31N3O2S2DMSO: 200AL0383KRN 633286370-15-8VEGFR, PDGFRProtein Tyrosine KinaseN/AKRN 633 is an ATP-competitive inhibitor of VEGFR1/2/3 with IC50 of 170 nM/160 nM/125 nM, weakly inhibits PDGFR-/ and c-Kit, does not block the phosphorylation of FGFR-1, EGFR or c-Met in cell.416.86C20H21ClN4O4DMSO: 22AL0384AT7867857531-00-1Akt, S6 kinasePI3K/Akt/mTORN/AAT7867 is a potent ATP-competitive inhibitor of Akt1/2/3 and p70S6K/PKA with IC50 of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively; little activity outside the AGC kinase family.337.85C20H20ClN3DMSO: 201AL0385BMS-7776071025720-94-8c-MetProtein Tyrosine KinaseN/ABMS-777607 is a Met-related inhibitor for c-Met, Axl, Ron and Tyro3 with IC50 of 3.9 nM, 1.1 nM, 1.8 nM and 4.3 nM, 40-fold more selective for Met-related targets versus Lck, VEGFR-2, and TrkA/B, and more than 500-fold greater selectivity versus all other receptor and non receptor kinases. Phase 1/2.512.89C25H19ClF2N4O4DMSO: 92AL0386VX-809 (Lumacaftor)936727-05-8OthersTransmembrane TransportersN/AVX-809 acts to correct CFTR mutations common in cystic fibrosis by increasing mutant CFTR (F508del-CFTR) maturation,EC50 of 0.1 M. Phase 3.452.41C24H18F2N2O5DMSO: 199AL0387Pomalidomide19171-19-8TNF-alpha, COXApoptosisCC-4047Pomalidomide inhibits LPS-induced TNF- release with IC50 of 13 nM.273.24C13H11N3O4DMSO: 201AL0388PD318088391210-00-7MEKMAPKN/APD318088 is a non-ATP competitive allosteric MEK1/2 inhibitor, binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site.561.09C16H13BrF3IN2O4DMSO: 200AL0389Tazarotene 118292-40-3OthersOthersTazorac; Avage; ZoraTazarotene is a prescription topical retinoid sold as a cream or gel.351.46C21H21NO2SDMSO: 28AL0390KU-60019925701-49-1ATMDNA DamageN/AKU-60019 is an improved analogue of KU-55933, with IC50 of 6.3 nM for ATM, 270- and 1600-fold more selective for ATM than DNA-PK and ATR,and is a highly effective radiosensitizer.547.67C30H33N3O5SDMSO: 33AL0391BS-181 HCl1397219-81-6CDKCell CycleN/ABS-181 is a highly selective CDK7 inhibitor with IC50 of 21 nM. It is more than 40-fold selective for CDK7 than CDK1, 2, 4, 5, 6, or 9.416.99C22H33ClN6DMSO: 199; Water: 59AL0392Fasudil (HA-1077) HCl105628-07-7ROCKCell CycleAT-877Fasudil (HA-1077) is a potent inhibitor of ROCK-II, PKA, PKG, PKC, and MLCK with Ki of 0.33 M, 1.6 M, 1.6 M, 3.3 M and 36 M, respectively. 327.83C14H18ClN3O2SDMSO: 15; Water: 198AL0393BIRB 796 (Doramapimod)285983-48-4p38 MAPKMAPKN/ABIRB 796 (Doramapimod) is a highly selective p38 MAPK inhibitor with Kd of 0.1 nM, 330-fold greater selectivity versus JNK2, weak inhibition for c-RAF, Fyn and Lck, insignificant inhibition of ERK-1, SYK, IKK2, ZAP-70, EGFR, HER2, PKA, PKC, PKC//.527.66C31H37N5O3DMSO: 201AL0394RO4929097847925-91-1Y-SecretaseProteasesRO-4929097RO4929097 is a secretase inhibitor with IC50 of 4 nM, inhibiting cellular processing of A40 and Notch with EC50 of 14 nM and 5 nM, respectively. Phase 2.469.40C22H20F5N3O3DMSO: 200AL0395Sulfasalazine599-79-1OthersOthersAzulfidine; Salazopyrin; SulphasalazineSulfasalazine is a sulfa agent and a derivative of mesalazine used primarily as an anti-inflammatory agent.398.39C18H14N4O5SDMSO: 201AL0396Tie2 kinase inhibitor948557-43-5Tie-2Protein Tyrosine KinaseN/ATie2 kinase inhibitor is an optimized compound of SB-203580, selective to Tie2 with IC50 of 0.25 M, 200-fold more potent than p38.439.53C26H21N3O2SDMSO: 80AL0397Candesartan 139481-59-7RAASEndocrinology & HormonesAtacand; Blopress; Amias; RatacandCandesartan is an angiotensin II receptor antagonist with IC50 of 0.26 nM.440.45C24H20N6O3DMSO: 200AL0398H 89 2HCl130964-39-5S6 KinasePI3K/Akt/mTORN/AH 89 2HCl is a potent PKA inhibitor with Ki of 48 nM, 10-fold selective for PKA than PKG, greater than 500-fold selectivity than PKC, MLCK, calmodulin kinase II and casein kinase I/II.519.28C20H22BrCl2N3O2SDMSO: 200; Water: 12AL0399TWS119601514-19-6GSK-3PI3K/Akt/mTORN/ATWS119 is a GSK-3 inhibitor with IC50 of 30 nM; capable of inducing neuronal differentiation and may be useful to stem cell biology.318.33C18H14N4O2DMSO: 201AL0400Apixaban503612-47-3Factor XaMetabolismN/AApixaban is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively.459.50C25H25N5O4DMSO: 39AL0401Semagacestat (LY450139)425386-60-3Gamma-secretaseProteasesLY-450139; LY450139Semagacestat (LY450139) is a -secretase blocker for A42, A40 and A38 with IC50 of 10.9 nM, 12.1 nM and 12.0 nM, also inhibits Notch signaling with IC50 of 14.1 nM. Phase 3.361.44C19H27N3O4DMSO: 199AL0402Reserpine50-55-5OthersOthersN/AReserpine is an indole alkaloid antipsychotic and antihypertensive drug that has been used for the control of high blood pressure and for the relief of psychotic symptoms.608.68C33H40N2O9DMSO: 21AL0403Furosemide 54-31-9OthersOthersLasix; FrusemideFurosemide(Lasix) is a loop diuretic used in the treatment of congestive heart failure and edema.330.74C12H11ClN2O5SDMSO: 200AL0404Olmesartan Medoxomil144689-63-4RAASEndocrinology & HormonesOlmetecOlmesartan medoxomil is a compound which is hydrolyzed to olmesartan that is a selective AT1 subtype angiotensin II receptor antagonist.558.59C29H30N6O6DMSO: 159AL0405Cefdinir 91832-40-5OthersOthersFK-482; BMY-28488; PD 134393; CI-983Cefdinir(Omnicef) is a bacteriocidal antibiotic.395.41C14H13N5O5S2DMSO: 200AL0406Clotrimazole23593-75-1OthersOthersLotrimin; Mycelex; CanestenClotrimazole is a synthetic, antifungal and broad-spectrum derivate of imidazole.344.84C22H17ClN2DMSO: 32AL0407Rizatriptan Benzoate 145202-66-0NULLNeuronal SignalingMK-462; MaxaltRizatriptan Benzoate is an agonist at serotonin 5-HT1B and 5-HT1D receptors, used to treat acute migraine attacks.391.47C22H25N5O2DMSO: 51; Water: 118AL0408Pyridostigmine Bromide 101-26-8OthersNeuronal SignalingMestinon; RegonolPyridostigmine Bromide is a parasympathomimetic and a reversible cholinesterase inhibitor.261.12C9H13BrN2O2DMSO: 199; Water: 199AL0409Methimazole 60-56-0OthersOthersBasolan; Metazolo; ThiamazoleMethimazole(Tapazole, Northyx) is an antithyroid medicine.114.17C4H6N2SDMSO: 201; Water: 201AL0410Metolazone 17560-51-9OthersOthersMykrox; Zaroxolyn; DiuloMetolazone(Zaroxolyn) is primarily used to treat congestive heart failure and high blood pressure.365.83C16H16ClN3O3SDMSO: 200AL0411Cefoperazone 62893-19-0OthersOthersN/ACefoperazone is a cephalosporin antibiotic for inhibition of rMrp2-mediated [3H]E217G uptake with IC50 of 199 M.645.67C25H27N9O8S2DMSO: 155AL0412Silodosin160970-54-7Adrenergic ReceptoNeuronal SignalingN/ASilodosin(Rapaflo) is an 1-adrenoceptor antagonist with high uroselectivity.495.53C25H32F3N3O4DMSO: 200AL0413Riluzole1744-22-5Sodium ChannelTransmembrane TransportersPK-26124; RP-54274; RilutekRiluzole is a drug used to treat amyotrophic lateral sclerosis. 234.20C8H5F3N2OSDMSO: 201AL0414Risperidone 106266-06-25-HT ReceptorNeuronal SignalingR 64 766; RisperdalRisperidone(Risperdal) is an atypical antipsychotic used to treat schizophrenia.410.48C23H27FN4O2DMSO: 10AL0415Sulfapyridine 144-83-2OthersOthersCoccoclase; Eubasin; Eubasinum; HaptocilSulfapyridine is a sulfonamide antibacterial.249.29C11H11N3O2SDMSO: 10AL0416Sulfameter 651-06-9OthersOthersSulfamethoxydiazine; Sulfametin; Sulfametorine; Sulfamethoxine; AHR-857; BerlicidSulfameter(Bayrena) is a long-acting sulfonamide antibacterial.280.30C11H12N4O3SDMSO: 200AL0417Prilocaine721-50-6OthersOthersN/APrilocaine is a local anesthetic of the amino amide type.220.31C13H20N2ODMSO: 200AL0418Darunavir Ethanolate635728-49-3HIV ProteaseProteasesPrezista; TMC114Darunavir Ethanolate is an HIV protease inhibitor.593.73C29H43N3O8SDMSO: 168AL0419Theophylline 58-55-9TGF-beta/SmadTGF-beta/SmadTheophylline (Theo-Dur) is a methylxanthine agent and has bronchodilator properties and is used in the treatment of asthma and COAD.180.16C7H8N4O2DMSO: 200AL0420Prednisone 53-03-2OthersOthersDeltasone; Liquid Pred; Orasone; AdasonePrednisone (Adasone) is a synthetic corticosteroid agent that is particularly effective as an immunosuppressant compound.358.43C21H26O5DMSO: 198AL0421Acetylcysteine616-91-1AChROthersN-acetylcysteine; N-acetyl-L-cysteine; NAC; AAcetylcysteine is a pharmaceutical drug and nutritional supplement used primarily as a mucolytic agent and in the management of paracetamol (acetaminophen) overdose. 163.19C5H9NO3SDMSO: 202; Water: 202AL0422Alendronate 121268-17-5OthersOthersN/AAlendronate, a nitrogen-containing bisphosphonate, is a potent inhibitor of bone resorption used for the treatment and prevention of osteoporosis.326.13C4H19NNaO10P2DMSO: 10AL0423Ethinyl Estradiol57-63-6OthersOthersEthynylestradiolEthynyl estradiol is an orally bio-active estrogen used in almost all modern formulations of combined oral contraceptive pills. 296.40C20H24O2DMSO: 199AL0424Naproxen 26159-34-2COXNeuronal SignalingAnaprox; NaprelanNaproxen is a COX inhibitor for COX-1 and COX-2 with IC50 of 8.7 M and 5.2 M, respectively.252.24C14H13NaO3DMSO: 12; Water: 198AL0425Nitazoxanide55981-09-4OthersOthersDaxon; Dexidex; Kidonax; Pacovanton; Paramix; Nitax; Zox; Nitazox; TozaNitazoxanide is a synthetic nitrothiazolyl-salicylamide derivative and an antiprotozoal agent. (IC50 for canine influenza virus ranges from 0.17 to 0.21 M)307.28C12H9N3O5SDMSO: 202AL0426Triamcinolone Acetonide76-25-5OthersOthersAzmacortTriamcinolone Acetonide is a more potent type of triamcinolone, being about 8 times as effective as prednisone. 434.50C24H31FO6DMSO: 200AL0427Orlistat 96829-58-2OthersOthersTetrahydrolipstatinOrlistat is a general lipase inhibitor with IC50 of 122 ng/ml for PL from human duodenal juice.495.73C29H53NO5DMSO: 200AL0428Allopurinol 315-30-0OthersGPCR & G ProteinAloprimAllopurinol (Zyloprim) is a xanthine oxidase inhibitor with an IC50 of 7.820.12 M.136.11C5H4N4ODMSO: 198; Water: 29AL0429Allopurinol Sodium 17795-21-0OthersOthersLopurin; Zyloprim; AloprimAllopurinol Sodium is a xanthine oxidase inhibitor with an IC50 of 7.820.12 M.159.10C5H4N4NaO+DMSO: 201; Water: 201AL0430Zafirlukast 107753-78-6OthersOthersAccolate; Accoleit; VanticonZafirlukast is a leukotriene receptor antagonist (LTRA). (IC50=0.6M, IC50=7.0 M for CYP2C9)575.68C31H33N3O6SDMSO: 174AL0431Acetaminophen103-90-2,16958-94-4 (sodium salt)COXNeuronal SignalingParacetamol; TylenolAcetaminophen is a COX inhibitor for COX-1 and COX-2 with IC50 of 113.7 M and 25.8 M, respectively.151.16C8H9NO2DMSO: 198; Water: 198AL0432Erythromycin114-07-8OthersOthersE-MycinErythromycin is a macrolide antibiotic that has an antimicrobial spectrum similar to or slightly wider than that of penicillin (IC50=1.5 g/ml).733.93C37H67NO13DMSO: 200; Water: 4AL0433Amphotericin B 1397-89-3OthersOthersN/AAmphotericin B (AmB) is an amphipathic polyene antibiotic which permeabilizes ergosterol-containing membranes.924.08C47H73NO17DMSO: 24AL0434Ibuprofen 15687-27-1COXNeuronal SignalingBrufen; Nurofen; MotrinIbuprofen (Dolgesic) is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50 of 13 M and 370 M, respectively.206.28C13H18O2DMSO: 199AL0435Amprenavir 161814-49-9HIV ProteaseProteasesAgeneraseAmprenavir is an HIV protease inhibitor with IC50 of 14.6 ng/mL in wild-type HIV isolates.505.63C25H35N3O6SDMSO: 32AL0436Albendazole54965-21-8OthersOthersAlbenza; Eskazole; Zentel; AndazolAlbendazole is a member of the benzimidazole compounds used as a drug indicated for the treatment of a variety of worm infestations.265.33C12H15N3O2SDMSO: 64AL0437Chlorothiazide58-94-6OthersOthersDiuril; ChlotrideChlorothiazide is a diuretic and antihypertensive. (IC50=3.8 mM)295.72C7H6ClN3O4S2DMSO: 200AL0438Methyldopa 555-30-6Adrenergic ReceptorNeuronal SignalingAldorilMethyldopa (Aldomet) is a DOPA decarboxylase competitive inhibitor with an ED50 of 21.8 mg/kg.211.21C10H13NO4DMSO: 10AL0439Ursodiol128-13-2OthersOthersUrsodeoxycholic acid; UDCA; Ursosan; Ursofalk; Urso Forte; UdilivUrsodiol reduces cholesterol absorption and is used to dissolve (cholesterol) gallstones. (IC50=0.22 M392.57C24H40O4DMSO: 201AL0440Nitrofural59-87-0OthersOthersNitrofural; Furacilin; ACTIN-N; OtofuranNitrofural is a topical anti-infective agent with an IC50 of 22.83 1.2 M. (Rat LD50 = 590 mg/kg)198.14C6H6N4O4DMSO: 202AL0441Ketoprofen 22071-15-4COXNeuronal SignalingOrudis; OruvailKetoprofen (Actron) is a non-selective NSAID with IC50 of 0.5 M and 2.33 M for human recombinant COX-1 and COX-2, respectively.254.28C16H14O3DMSO: 201AL0442Ketorolac74103-07-4COXNeuronal SignalingN/AKetorolac (Ketorolac tromethamine) is a non-selective COX inhibitor of COX-1 and COX-2 with IC50 of 1.23 M and 3.50 M, respectively.376.40C15H13NO3DMSO: 199AL0443Adenosine58-61-7OthersOthersAdenocardAdenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a -N9-glycosidic bond.267.24C10H13N5O4DMSO: 45AL0444Zolmitriptan 139264-17-8OthersNeuronal SignalingZomig; Zomigon; AscoTopand; ZomigoroZolmitriptan(Zomig) is a selective serotonin receptor agonist.287.36C16H21N3O2DMSO: 202AL0445Telbivudine 3424-98-4OthersOthersN/ATelbivudine is an antiviral agent used in the treatment of hepatitis B infection.242.23C10H14N2O5DMSO: 198; Water: 198AL0446Monobenzone 103-16-2OthersOthersBenoquinMonobenzone is a compound used as a topical agent for medical depigmentation.200.23C13H12O2DMSO: 200AL0447Tretinoin302-79-4OthersOthersVesanoid; Airol; Renova; Atralin; Retin-A; Avita; Stieva-A; all-trans retinoic acidAlltrans Retinoic acid (ATRA), whith is a ligand for both the retinoic acid receptor (RAR) and the retinoid X receptor (RXR), can induce granulocytic differentiation and apoptosis in acute promyelocytic leukemia (APL) cells.300.40C20H28O2DMSO: 200AL0448Phenylbutazone 50-33-9OthersOthersBute; Butazolidin; ButatronPhenylbutazone(Butazolidin, Butatron) is used as a non-steroidal anti-inflammatory agent for the treatment of chronic pain, including the sympto