Drug General Information
Drug ID	D0UT1X
Former ID	DNC005479
Drug Name	1,2-Bis-(3-nitro-phenyl)-ethane-1,2-dione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527510]
Structure		Download 2D MOL 3D MOL
Formula	C14H8N2O6
Canonical SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=O)C2=CC(=CC=C2)[N+](<br />=O)[O-]
InChI	1S/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H
InChIKey	SGKVXDKTNJHBCA-UHFFFAOYSA-N
PubChem Compound ID	101375
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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