Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1839)
Drug Name	ABT-263
Synonyms	Navitoclax; Navitoclax (ABT-263); XKJ5VVK2WD; 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]benzamide; 923564-51-6; ABT 263; ABT-263; ABT-263 (Navitoclax); ABT263; CHEMBL443684; UNII-XKJ5VVK2WD
Indication	Ovarian cancer [ICD11: 2C73]			Phase 2	[]
Structure
Structure	3D MOL is unavailable		2D MOL
Pharmaceutical Properties	Molecular Weight	974.6	Topological Polar Surface Area		170
	Heavy Atom Count	65	Rotatable Bond Count		16
	Hydrogen Bond Donor Count	2	Hydrogen Bond Acceptor Count		14
Cross-matching ID	PubChem CID 24978538 PubChem SID 56311703 ; 56314453 ; 57304426 ; 57504587 ; 87219189 ; 87457108 ; 96099448 ; 99003698 ; 99245529 ; 99246089 ; 99431767 ; 99460835 ; 103640740 ; 104115920 ; 124756924 ; 124899202 ; 124899203 ; 125163731 ; 126583646 ; 126667000 ; 126724167 ; 131465096 ; 131465716 ; 134221945 ; 135263748 ; 135626669 ; 135727392 ; 136920253 ; 137126833 ; 141663047 ; 143499177 ; 152035716 ; 152164573 ; 152240012 ; 152258081 ; 152344157 ; 160646920 ; 162011689 ; 162037376 ; 162202714 ; 163123180 ; 163821637 ; 164194132 ; 164831796 ; 174007035 ; 174531509 ; 198955115 ; 204380851 ; 223388517 ; 223685382 ChEBI ID CHEBI:94128 CAS Number 119229-65-1 TTD Drug ID D06ETI Formula C47H55ClF3N5O6S3 Canonical SMILES CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C InChI 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 InChIKey JLYAXFNOILIKPP-KXQOOQHDSA-N

The Metabolic Roadmap of This Drug

The Full List of Drug Metabolites (DM) of This Drug

DM Name	DM ID	PubChem ID	Reaction	DM Level	REF
ABT-263 metabolite	DM005684	N. A.	Unclear	1	[1]

The Full List of Metabolic Reaction (MR) of This Drug

MR ID	Reactant	Product	MR Type	DME	REF
MR006065	ABT-263	ABT-263 metabolite	Unclear	CYP3A4	[1]

Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug

DME Name	DME Info	Species	Uniprot ID	EC Number	REF
Cytochrome P450 3A4 (CYP3A4)	DME0001	Homo sapiens	CP3A4_HUMAN	1.14.14.55	[1]

References
1	Effect of rifampin on the pharmacokinetics, safety and tolerability of navitoclax (ABT-263), a dual inhibitor of Bcl-2 and Bcl-XL , in patients with cancer. J Clin Pharm Ther. 2014 Dec;39(6):680-4.

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