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		Download 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	44428839
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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