Drug General Information
Drug ID	D0DW9J
Former ID	DNC005444
Drug Name	1,2-bis(4-fluorophenyl)ethane-1,2-dione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528766]
Structure		Download 2D MOL 3D MOL
Formula	C14H8F2O2
Canonical SMILES	C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
InChI	1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey	BRKULQOUSCHDGS-UHFFFAOYSA-N
PubChem Compound ID	123072
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 528766	Bioorg 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 528766	Bioorg 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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