Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07MGN
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| Former ID |
DNC007104
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| Drug Name |
NSC-224124
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| Synonyms |
NSC224124; NSC-224124; CHEMBL223007; 57999-04-9; NCIMech_000322; AC1L7M0Y; SCHEMBL13856922; DTXSID40310276; ZINC5566508; CCG-35599; BDBM50195851; NCI60_001848; [3-(carbamoyloxymethyl)-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl]methyl carbamate
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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 |
C14H12N2O8
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| Canonical SMILES |
C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)COC(=O)N)COC(=O)N)O
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| InChI |
1S/C14H12N2O8/c15-13(21)23-3-5-6(4-24-14(16)22)12(20)10-8(18)2-1-7(17)9(10)11(5)19/h1-2,19-20H,3-4H2,(H2,15,21)(H2,16,22)
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| InChIKey |
VCZBTSKVAAVCJJ-UHFFFAOYSA-N
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| CAS Number |
CAS 57999-04-9
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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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