Drug General Information
Drug ID	D01VAU
Former ID	DNC005477
Drug Name	1,2-Bis-(3-methoxy-phenyl)-ethane-1,2-dione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527510]
Structure		Download 2D MOL 3D MOL
Formula	C16H14O4
Canonical SMILES	COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC
InChI	1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKey	PJGXOGKIVAJFTE-UHFFFAOYSA-N
PubChem Compound ID	123493
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[527510]
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 527510	J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Ref 527510	J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

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