Drug General Information
Drug ID
D0E0DQ
Former ID
DNC007105
Drug Name
NSC-645808
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530820]
Structure
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2D MOL

3D MOL

Formula
C18H18N4O2
Canonical SMILES
CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O
InChI
1S/C18H18N4O2/c1-21(2)8-7-19-13-4-5-14-17-16(13)18(24)12-9-11(23)3-6-15(12)22(17)10-20-14/h3-6,9-10,19,23H,7-8H2,1-2H3
InChIKey
QKYXFJYABODRFA-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) NAD(P)H dehydrogenase [quinone] 1 Target Info Inhibitor [528457]
NRH dehydrogenase [quinone] 2 Target Info Inhibitor [530820]
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 530820Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6. Epub 2010 Mar 15.Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2.
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 530820Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6. Epub 2010 Mar 15.Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2.

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