Bioactive Compound Details

BioIDbio200523
NameVENETOCLAX
ChEMBL IDCHEMBL3137309
Molecular FormulaC45H50ClN7O7S
Molecular Weight868.46
Molecular Weight (Monoisotopic)867.3181
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsABT-199|GDC-0199|RG-7601|RG7601|VENCLEXTA|VENETOCLAX|Venclyxto
SmilesCC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
InchiInChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
Inchi KeyLQBVNQSMGBZMKD-UHFFFAOYSA-N
Molecular SpeciesACID
Targets65.0
Bioactivities215.0
Np Likeness Score-1.02
Records Key['22; ABT-199', '3; ABT-199', 'ABT-199', 'VENETOCLAX', 'SID174006982', 'VENETOCLAX', 'Venetoclax脗', 'ABT-199', '8; ABT-199', 'ABT-199', 'ABT-199', 'ABT-199; 1', 'Venetoclax', 'ABT-199', '3; ABT-199', 'ABT-199', 'Venetoclax', 'Venetoclax', '23', 'BDBM60828', 'BDBM60828', 'VENETOCLAX', 'Venetoclax脢', 'VENETOCLAX', 'ABT-199', 'VENETOCLAX', 'VENETOCLAX', 'ABT-199; GDC-0199', '131', 'ABT-199', 'ABT-199', 'ABT199', 'Venetoclax, ABT-199 (29)', 'Venetoclax', 'ABT199', 'ABT-199', 'Venetoclax', 'EUB0001812a', 'VENETOCLAX', '6; ABT-199', 'Venetoclax', 'ABT-199', '37; ABT-199', 'venetoclax', 'ABT-199', '18', 'EUB0001812a', '11; ABT-199']
Records Name['Venetoclax', 'Venetocalx', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'VENETOCLAX', 'SID174006982', 'VENETOCLAX', 'Venetoclax脗', 'N-[4-{4-[2-(4-Chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzoyl]-3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonamide', 'Venetoclax', 'Venetoclax; Venclexta', 'Venetoclax', 'Venetoclax', 'Venetoclax', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'Venetoclax', 'Venetoclax', 'Venetoclax', 'Venetoclax', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'ABT-199::BDBM189459::US9174982, 369', 'ABT-199::BDBM189459::US9174982, 369', 'VENETOCLAX', 'Venetoclax脢', 'VENETOCLAX', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'VENETOCLAX', 'VENETOCLAX', 'Venetoclax', 'Venetoclax', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'Venetoclax', 'Venetoclax', '4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide', 'Venetoclax', 'Venetoclax', 'Venetoclax', 'Venetoclax', 'ABT-199', 'VENETOCLAX', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'Venetoclax', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'Venetoclax', 'venetoclax', '2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide', 'Venetoclax', 'ABT-199', 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure