Drug Information

Drug General Information
Drug ID
D05EMT
Former ID
DNC007656
Drug Name
1,2-bis(2,5-difluorophenyl)ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528766]
Formula
C14H6F4O2
Canonical SMILES
C1=CC(=C(C=C1F)C(=O)C(=O)C2=C(C=CC(=C2)F)F)F
InChI
1S/C14H6F4O2/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6H
InChIKey
IWSRHXHMXUIXCZ-UHFFFAOYSA-N
PubChem Compound ID
22574258
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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