Drug General Information
Drug ID
D05LTW
Former ID
DNC007657
Drug Name
1,2-bis(2,3-fluorophenyl)ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Formula
C14H6F4O2
Canonical SMILES
C1=CC(=C(C(=C1)F)F)C(=O)C(=O)C2=C(C(=CC=C2)F)F
InChI
1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
InChIKey
LJRGNWLITYAYFC-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [528766]
Cholinesterase Target Info Inhibitor [528766]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450WP229:Irinotecan Pathway
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.