Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0T4RW
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| Former ID |
DNC007113
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| Drug Name |
NSC-645827
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| Synonyms |
NSC-645827; MLS002701557; C 1303; 128113-19-9; NSC645827; AC1L3YJ7; CHEMBL95704; DTXSID30155810; ZINC5140451; 5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one; SMR001565158; NCI60_015716; 5-[2-Dimethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one; 5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,3]triazolo[4,5,1-de]acridin-6-one; 6H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5-((2-(dimethylamino)ethyl)amino)-8-hydroxy-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C17H17N5O2
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| Canonical SMILES |
CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O
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| InChI |
1S/C17H17N5O2/c1-21(2)8-7-18-12-4-5-13-16-15(12)17(24)11-9-10(23)3-6-14(11)22(16)20-19-13/h3-6,9,18,23H,7-8H2,1-2H3
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| InChIKey |
OMSFZBMJHQNEQZ-UHFFFAOYSA-N
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| CAS Number |
CAS 128113-19-9
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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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