Drug General Information
Drug ID
D0E2IG
Former ID
DNC007655
Drug Name
1,2-bis(2,3,6-trifluorophenyl)ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Structure
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2D MOL

3D MOL

Formula
C14H4F6O2
Canonical SMILES
C1=CC(=C(C(=C1F)C(=O)C(=O)C2=CC(=CC(=C2F)F)F)F)F
InChI
1S/C14H4F6O2/c15-5-3-6(11(19)9(18)4-5)13(21)14(22)10-7(16)1-2-8(17)12(10)20/h1-4H
InChIKey
NHBDBTHCQQXYBY-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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