Showing CypComp Card for CC02030: Quinoline (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:36:25 UTC
Last Updated2019-10-01 21:41:17 UTC
CypComp IDCC02030
Compound Information
NameQuinoline
Structure ImageSmwdfezzvxvkrb uhfffaoysa n
InChIKeySMWDFEZZVXVKRB-UHFFFAOYSA-N
PubChem ID7047
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <4,8;EpOxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <4,8;EpOxidation;R1>
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <4,8;EpOxidation;R1>
  • <7,H;Hydroxylation;R2>
  • <6,N;N-Oxidation;R3>
  • <5,H;Hydroxylation;R4>
References
  1. Reigh G, McMahon H, Ishizaki M, Ohara T, Shimane K, Esumi Y, Green C, Tyson C, Ninomiya S: Cytochrome P450 species involved in the metabolism of quinoline. Carcinogenesis. 1996 Sep;17(9):1989-96. doi: 10.1093/carcin/17.9.1989. [PubMed:8824525 ]
  2. Dowers TS, Rock DA, Rock DA, Perkins BN, Jones JP: An analysis of the regioselectivity of aromatic hydroxylation and N-oxygenation by cytochrome P450 enzymes. Drug Metab Dispos. 2004 Mar;32(3):328-32. doi: 10.1124/dmd.32.3.328. [PubMed:14977867 ]
Download FileCC02030.sdf