Drug General Information
Drug ID
D0VB8K
Former ID
DNC007109
Drug Name
NSC-339580
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528457]
Structure
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2D MOL

3D MOL

Formula
C21H24N2O6
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCCN(CCO)CCO)O
InChI
1S/C21H24N2O6/c24-10-8-23(9-11-25)7-3-6-22-15-12-16(26)17-18(21(15)29)20(28)14-5-2-1-4-13(14)19(17)27/h1-2,4-5,12,22,24-26,29H,3,6-11H2
InChIKey
PYKCJLACRZVGNR-UHFFFAOYSA-N
PubChem Compound ID
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 528457Bioorg 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 528457Bioorg 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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