Bioactive Compound Details

BioIDbio200432
NameNAVITOCLAX
ChEMBL IDCHEMBL443684
Molecular FormulaC47H55ClF3N5O6S3
Molecular Weight974.63
Molecular Weight (Monoisotopic)973.2955
TypeSmall molecule
Max PhasePhase 3
Target IDTar81
Target NameNone
SynonymsA-855071.0|ABT-263|NAVITOCLAX
SmilesCC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1
InchiInChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
Inchi KeyJLYAXFNOILIKPP-KXQOOQHDSA-N
Molecular SpeciesACID
Targets600.0
Bioactivities721.0
Np Likeness Score-1.0
Records Key['ABT263', '1, ABT-263', '2, ABT-263', 'Scheme 4, 11', 'SID99460835', 'ABT-263', '4j, ABT-263', 'ABT-263', 'NAVITOCLAX', '1, ABT-263', 'ABT-263', 'Navitoclax, ABT-263', 'ABT-263', '2, ABT-263', '2, ABT-263', 'ABT-263', '7; ABT-236', 'NAVITOCLAX', 'ABT-263', 'Navitoclax', '2, ABT-263', '4556', 'ABT-263', 'SID124899202', '2, ABT-263', '2; ABT-263', '2; ABT-263', 'Navitoclax脢', 'Navitoclax脗', 'ABT-263', '21', 'COVC-2283008312', 'ABT-263', 'ABT-263', 'Navitoclax', 'ABT-263', 'ABT-263', '1; ABT-263', 'ABT-263', 'ABT-263']
Records Name['(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', '(((R)-4-(3-morpholin-4-yl-1-phenylsulfanylmethylpropylamino)-N-(4-{4-[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enylmethyl]piperazin-1-yl}benzoyl)-3-trifluoromethanesulfonylbenzenesulfonamide)', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', 'SID99460835', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', '(R)-4-(4-((2-(4-chlorophenyl)-6,6-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', 'Navitoclax', 'NAVITOCLAX', 'navitoclax', 'Navitoclax', 'Navitoclax', 'ABT-263', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', 'N-(4-{4-[2-(4-Chloro-phenyl)-5,5-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-benzoyl)-4-(3-morpholin-4-yl-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide', 'Navitoclax', 'NAVITOCLAX', 'Navitoclax', 'Navitoclax', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', None, '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', 'SID124899202', 'Navitoclax', 'Navitoclax', 'Navitoclax', 'Navitoclax脢', 'Navitoclax脗', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide', '(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure