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Record Information
Version1.0
Creation Date2019-07-14 16:35:30 UTC
Last Updated2019-10-01 21:40:59 UTC
CypComp IDCC01887
Compound Information
NameAmitriptyline
Structure ImageKrmdcwkbezimab uhfffaoysa n
InChIKeyKRMDCWKBEZIMAB-UHFFFAOYSA-N
PubChem ID2160
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <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
  1. 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 ]
  2. 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 ]
  3. 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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