Showing CypComp Card for CC02195: Quinine (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:37:21 UTC
Last Updated2019-10-01 21:41:37 UTC
CypComp IDCC02195
Compound Information
NameQuinine
Structure ImageLouprkontzgtke wzblmqshsa n
InChIKeyLOUPRKONTZGTKE-WZBLMQSHSA-N
PubChem ID3034034
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <17,14;Cleavage;R1>
  • <21,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <17,14;Cleavage;R1>
  • <21,H;Hydroxylation;R2>
  • <17,14;Cleavage;R1>
  • <21,H;Hydroxylation;R2>
  • <17,14;Cleavage;R1>
  • <21,H;Hydroxylation;R2>
  • <12,H;Hydroxylation;R3>
  • Not Available
  • <17,14;Cleavage;R1>
  • <21,H;Hydroxylation;R2>
  • <12,H;Hydroxylation;R3>
References
  1. Zhao XJ, Yokoyama H, Chiba K, Wanwimolruk S, Ishizaki T: Identification of human cytochrome P450 isoforms involved in the 3-hydroxylation of quinine by human live microsomes and nine recombinant human cytochromes P450. J Pharmacol Exp Ther. 1996 Dec;279(3):1327-34. [PubMed:8968357 ]
  2. Mirghani RA, Yasar U, Zheng T, Cook JM, Gustafsson LL, Tybring G, Ericsson O: Enzyme kinetics for the formation of 3-hydroxyquinine and three new metabolites of quinine in vitro; 3-hydroxylation by CYP3A4 is indeed the major metabolic pathway. Drug Metab Dispos. 2002 Dec;30(12):1368-71. doi: 10.1124/dmd.30.12.1368. [PubMed:12433805 ]
  3. Marcsisin SR, Jin X, Bettger T, McCulley N, Sousa JC, Shanks GD, Tekwani BL, Sahu R, Reichard GA, Sciotti RJ, Melendez V, Pybus BS: CYP450 phenotyping and metabolite identification of quinine by accurate mass UPLC-MS analysis: a possible metabolic link to blackwater fever. Malar J. 2013 Jun 21;12:214. doi: 10.1186/1475-2875-12-214. [PubMed:23800033 ]
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