Drug General Information
Drug ID	D05LTW
Former ID	DNC007657
Drug Name	1,2-bis(2,3-fluorophenyl)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(=C1)F)F)C(=O)C(=O)C2=C(C(=CC=C2)F)F
InChI	1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
InChIKey	LJRGNWLITYAYFC-UHFFFAOYSA-N
PubChem Compound ID	22574224
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[528766]
	Cholinesterase	Target Info	Inhibitor	[528766]
KEGG Pathway	Drug metabolism - other enzymes
	Metabolic pathways
PANTHER Pathway	Muscarinic acetylcholine receptor 1 and 3 signaling pathway
	Muscarinic acetylcholine receptor 2 and 4 signaling pathway
	Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database	E2F transcription factor network
WikiPathways	NRF2 pathway
	Nuclear Receptors Meta-Pathway
	Heroin metabolism
	Irinotecan Pathway
	Fluoropyrimidine Activity
	Phase I biotransformations, non P450WP229:Irinotecan Pathway
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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