CypComp Database: Showing CypComp Card for CC02040: Sertraline (CypBoM Training Set)

Record Information

Version

1.0

Creation Date

2019-07-14 16:36:28 UTC

Last Updated

2019-10-01 21:41:18 UTC

CypComp ID

CC02040

Compound Information

Name

Sertraline

Structure Image

InChIKey

VGKDLMBJGBXTGI-SJCJKPOMSA-N

PubChem ID

CypCompound Information

Set

CypBoM Training Set

Bonds of Metabolism (BoMs)

CYP1A2	CYP2A6	CYP2B6	CYP2C8	CYP2C9	CYP2C19	CYP2D6	CYP2E1	CYP3A4
<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1> <8,17;Cleavage;R2> <8,H;Oxidation;R2>	<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1>	<20,17;Cleavage;R1> <20,H;Oxidation;R1> <8,17;Cleavage;R2> <8,H;Oxidation;R2>

References

Obach RS, Cox LM, Tremaine LM: Sertraline is metabolized by multiple cytochrome P450 enzymes, monoamine oxidases, and glucuronyl transferases in human: an in vitro study. Drug Metab Dispos. 2005 Feb;33(2):262-70. doi: 10.1124/dmd.104.002428. Epub 2004 Nov 16. [PubMed:15547048 ]
Kobayashi K, Ishizuka T, Shimada N, Yoshimura Y, Kamijima K, Chiba K: Sertraline N-demethylation is catalyzed by multiple isoforms of human cytochrome P-450 in vitro. Drug Metab Dispos. 1999 Jul;27(7):763-6. [PubMed:10383917 ]

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