Drug General Information
Drug ID
D0M0WT
Former ID
DNC011298
Drug Name
NSC-99528
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531262]
Structure
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2D MOL

3D MOL

Formula
C26H16S
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)C5=CC6=CC=CC=C6S<br />5
InChI
1S/C26H16S/c1-4-10-21-17(7-1)13-14-20-15-18-8-2-5-11-22(18)26(25(20)21)24-16-19-9-3-6-12-23(19)27-24/h1-16H
InChIKey
SJVMNTJUTHEADO-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) NRH dehydrogenase [quinone] 2 Target Info Inhibitor [531262]
NAD(P)H dehydrogenase [quinone] 1 Target Info Inhibitor [531262]
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 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).
Ref 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

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