Showing CypComp Card for CC02394: Everolimus (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:54:53 UTC
Last Updated2019-10-01 21:42:03 UTC
CypComp IDCC02394
Compound Information
NameEverolimus
Structure ImageHkvamnsjsfkalm gkuwkfkpsa n
InChIKeyHKVAMNSJSFKALM-GKUWKFKPSA-N
PubChem ID6442177
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
  • <55,50;Cleavage;R1>
  • <55,H;Oxidation;R1>
  • <51,46;Cleavage;R2>
  • <51,H;Oxidation;R2>
References
  1. Kuhn B, Jacobsen W, Christians U, Benet LZ, Kollman PA: Metabolism of sirolimus and its derivative everolimus by cytochrome P450 3A4: insights from docking, molecular dynamics, and quantum chemical calculations. J Med Chem. 2001 Jun 7;44(12):2027-34. doi: 10.1021/jm010079y. [PubMed:11384247 ]
Download FileCC02394.sdf