Showing CypComp Card for CC01995: NE-100 (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:36:12 UTC
Last Updated2019-10-01 21:41:13 UTC
CypComp IDCC01995
Compound Information
NameNE-100
Structure ImageYbliqjgxrlzbcz uhfffaoysa n
InChIKeyYBLIQJGXRLZBCZ-UHFFFAOYSA-N
PubChem ID9841596
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <15,6;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <16,6;Cleavage;R2>
  • <16,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <15,6;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <16,6;Cleavage;R2>
  • <16,H;Oxidation;R2>
  • <17,11;Cleavage;R3>
  • <17,H;Oxidation;R3>
  • <15,6;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <16,6;Cleavage;R2>
  • <16,H;Oxidation;R2>
  • <17,11;Cleavage;R3>
  • <17,H;Oxidation;R3>
  • <15,6;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <16,6;Cleavage;R2>
  • <16,H;Oxidation;R2>
  • <17,11;Cleavage;R3>
  • <17,H;Oxidation;R3>
  • <24,H;Hydroxylation;R4>
  • <25,H;Hydroxylation;R5>
  • <26,H;Hydroxylation;R6>
  • Not Available
  • <15,6;Cleavage;R1>
  • <15,H;Oxidation;R1>
  • <16,6;Cleavage;R2>
  • <16,H;Oxidation;R2>
  • <24,H;Hydroxylation;R3>
  • <25,H;Hydroxylation;R4>
  • <26,H;Hydroxylation;R5>
References
  1. Yamamoto T, Hagima N, Fukasawa M, Yamaguchi J, Nakamura M, Kohno Y, Nagata K, Yamazoe Y: Metabolism of N,N-dipropyl-2-[4-methoxy-3-(2-phenyl-ethoxy)-phenyl]-ethyl-amine-monohydrochlori de (NE-100), a novel sigma ligand: contribution of cytochrome P450 forms involved in the formation of individual metabolites in human liver and small intestine. Drug Metab Pharmacokinet. 2003;18(3):173-85. [PubMed:15618733 ]
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