CypComp Database: Showing CypComp Card for CC01887: Amitriptyline (CypBoM Training Set)

Record Information

Version

1.0

Creation Date

2019-07-14 16:35:30 UTC

Last Updated

2019-10-01 21:40:59 UTC

CypComp ID

CC01887

Compound Information

Name

Amitriptyline

Structure Image

InChIKey

KRMDCWKBEZIMAB-UHFFFAOYSA-N

PubChem ID

CypCompound Information

Set

CypBoM Training Set

Bonds of Metabolism (BoMs)

CYP1A2	CYP2A6	CYP2B6	CYP2C8	CYP2C9	CYP2C19	CYP2D6	CYP2E1	CYP3A4
<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2>	Not Available	<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2> <13,H;Hydroxylation;R3> <10,H;Hydroxylation;R4>	<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2>	<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2>	<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2>	<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2> <13,H;Hydroxylation;R3> <10,H;Hydroxylation;R4>	Not Available	<20,19;Cleavage;R1> <20,H;Oxidation;R1> <21,19;Cleavage;R2> <21,H;Oxidation;R2> <13,H;Hydroxylation;R3> <10,H;Hydroxylation;R4>

References

Breyer-Pfaff U: The metabolic fate of amitriptyline, nortriptyline and amitriptylinoxide in man. Drug Metab Rev. 2004 Oct;36(3-4):723-46. doi: 10.1081/DMR-200033482. [PubMed:15554244 ]
Venkatakrishnan K, von Moltke LL, Greenblatt DJ: Application of the relative activity factor approach in scaling from heterologously expressed cytochromes p450 to human liver microsomes: studies on amitriptyline as a model substrate. J Pharmacol Exp Ther. 2001 Apr;297(1):326-37. [PubMed:11259560 ]
Ekins S, Bravi G, Ring BJ, Gillespie TA, Gillespie JS, Vandenbranden M, Wrighton SA, Wikel JH: Three-dimensional quantitative structure activity relationship analyses of substrates for CYP2B6. J Pharmacol Exp Ther. 1999 Jan;288(1):21-9. [PubMed:9862748 ]

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