Drug General Information
Drug ID
D0M2ZD
Former ID
DNC007668
Drug Name
1,2-bis(2,3-difluorophenyl)-2-hydroxyethanone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Formula
C14H8F4O2
Canonical SMILES
C1=CC(=C(C(=C1)F)F)C(C(=O)C2=C(C(=CC=C2)F)F)O
InChI
1S/C14H8F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6,13,19H
InChIKey
PYTAIIXDDDIUHU-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.