Showing CypComp Card for CC01805: 2-Acetylbenzothiophene (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:34:59 UTC
Last Updated2019-10-01 21:40:49 UTC
CypComp IDCC01805
Compound Information
Name2-Acetylbenzothiophene
Structure ImageSgsgcqgcvkwrnm uhfffaoysa n
InChIKeySGSGCQGCVKWRNM-UHFFFAOYSA-N
PubChem ID89805
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • Not Available
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
References
  1. Joshi EM, Heasley BH, Chordia MD, Macdonald TL: In vitro metabolism of 2-acetylbenzothiophene: relevance to zileuton hepatotoxicity. Chem Res Toxicol. 2004 Feb;17(2):137-43. doi: 10.1021/tx0341409. [PubMed:14967000 ]
Download FileCC01805.sdf