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Showing CypComp Card for CC02449: SERM-I (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:55:09 UTC
Last Updated2019-10-01 21:42:10 UTC
CypComp IDCC02449
Compound Information
NameSERM-I
Structure ImageTwznctcqagrugq rrpnlbnlsa n
InChIKeyTWZNCTCQAGRUGQ-RRPNLBNLSA-N
PubChem ID448577
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <33,28;Cleavage;R1>
  • <29,28;Cleavage;R1>
  • <33,H;Oxidation;R1>
  • <29,H;Oxidation;R1>
  • <10,S;S-Oxidation;R2>
References
  1. Zhang Z, Chen Q, Li Y, Doss GA, Dean BJ, Ngui JS, Silva Elipe M, Kim S, Wu JY, Dininno F, Hammond ML, Stearns RA, Evans DC, Baillie TA, Tang W: In vitro bioactivation of dihydrobenzoxathiin selective estrogen receptor modulators by cytochrome P450 3A4 in human liver microsomes: formation of reactive iminium and quinone type metabolites. Chem Res Toxicol. 2005 Apr;18(4):675-85. doi: 10.1021/tx0496789. [PubMed:15833027 ]
Download FileCC02449.sdf