Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0E0DQ
|
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| Former ID |
DNC007105
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| Drug Name |
NSC-645808
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [530820] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H18N4O2
|
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| Canonical SMILES |
CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O
|
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| 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
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| 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 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 530820 | Bioorg 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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