Drug General Information
Drug ID
D02GJG
Former ID
DNC007662
Drug Name
1,2-bis(2-fluorophenyl)ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Structure
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2D MOL

3D MOL

Formula
C14H8F2O2
Canonical SMILES
C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2F)F
InChI
1S/C14H8F2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKey
UWQCHLREAXYCBW-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.

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