Drug General Information
Drug ID	D07DGS
Former ID	DNC007108
Drug Name	NSC-2113
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528457]
Structure		Download 2D MOL 3D MOL
Formula	C10H14O2
Canonical SMILES	CCOC1=CC=C(C=C1)OCC
InChI	1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
InChIKey	VWGNFIQXBYRDCH-UHFFFAOYSA-N
PubChem Compound ID	67150
Target and Pathway
Target(s)	NAD(P)H dehydrogenase [quinone] 1	Target Info	Inhibitor	[528457]
KEGG Pathway	Ubiquinone and other terpenoid-quinone biosynthesis
NetPath Pathway	TCR Signaling Pathway
Pathway Interaction Database	Validated transcriptional targets of TAp63 isoforms
PathWhiz Pathway	Vitamin K Metabolism
WikiPathways	Estrogen metabolism
	Oxidative Stress
	Transcriptional activation by NRF2
	NRF2 pathway
	Nuclear Receptors Meta-Pathway
	Aryl Hydrocarbon Receptor Pathway
	Apoptosis-related network due to altered Notch3 in ovarian cancer
	Metabolism of amino acids and derivatives
	Aryl Hydrocarbon Receptor
	Dopamine metabolism
	Arylhydrocarbon receptor (AhR) signaling pathway
References
Ref 528457	Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54. Epub 2006 Sep 29.In silico identification and biochemical characterization of novel inhibitors of NQO1.
Ref 528457	Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54. Epub 2006 Sep 29.In silico identification and biochemical characterization of novel inhibitors of NQO1.

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