Drug General Information
Drug ID
D01HZN
Former ID
DNC007663
Drug Name
1,2-bis(3,4,5-trifluorophenyl)-2-hydroxyethanone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Formula
C14H6F6O2
Canonical SMILES
C1=C(C=C(C(=C1F)F)F)C(C(=O)C2=CC(=C(C(=C2)F)F)F)O
InChI
1S/C14H6F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4,13,21H
InChIKey
BBOPAMQNZSQMGE-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [528766]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
Ref 528766Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. Epub 2007 Mar 12.Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils.
Ref 528766Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. Epub 2007 Mar 12.Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils.