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]
Structure		Download 2D MOL 3D MOL
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 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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.