Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0VB8K
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| Former ID |
DNC007109
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| Drug Name |
NSC-339580
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| Synonyms |
NSC-339580; NSC339580; AC1L8WCZ; CHEMBL608554; ZINC5393058
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H24N2O6
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCCN(CCO)CCO)O
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| 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
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| InChIKey |
PYKCJLACRZVGNR-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Quinone reductase 1 (NQO1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Ubiquinone and other terpenoid-quinone biosynthesis | |||
| NetPath Pathway | TCR Signaling Pathway | |||
| Pathwhiz Pathway | Vitamin K Metabolism | |||
| Pathway Interaction Database | Validated transcriptional targets of TAp63 isoforms | |||
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54. | |||
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