Drug General Information
Drug ID
D08UOB
Former ID
DNC007654
Drug Name
1,2-bis(2,3,5-trifluorophenyl)ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Formula
C14H4F6O2
Canonical SMILES
C1=C(C=C(C(=C1F)F)C(=O)C(=O)C2=CC(=CC(=C2F)F)F)F
InChI
1S/C14H4F6O2/c15-5-1-7(11(19)9(17)3-5)13(21)14(22)8-2-6(16)4-10(18)12(8)20/h1-4H
InChIKey
KLUCLGJNULKHIS-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.