Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A5TD
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| Former ID |
DNC011300
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| Drug Name |
NSC-621351
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| Synonyms |
NSC-621351; CHEMBL1288223; NSC621351; AC1L7FC6; AC1Q4O4K; BDBM50332183; NCI60_006226; 2-(2-fluorophenyl)-4-naphthalen-2-yl-2,3-dihydro-1,5-benzothiazepine; 2-(2-fluorophenyl)-4-(naphthalen-2-yl)-2,3-dihydro-1,5-benzothiazepine
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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 |
C25H18FNS
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| Canonical SMILES |
C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5F
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| InChI |
1S/C25H18FNS/c26-21-10-4-3-9-20(21)25-16-23(27-22-11-5-6-12-24(22)28-25)19-14-13-17-7-1-2-8-18(17)15-19/h1-15,25H,16H2
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| InChIKey |
WXTPJZLDXSZFPY-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 evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. | |||
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