Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0AN7U
|
|||
| Former ID |
DNC007103
|
|||
| Drug Name |
NSC-316158
|
|||
| Synonyms |
NSC316158; NSC-316158; 1,4-dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione; AC1L8UB6; CHEMBL1161925; ZINC5390383; NCI60_002718
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C19H20N2O5
|
|||
| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCCNCCO)O
|
|||
| InChI |
1S/C19H20N2O5/c22-9-8-20-6-3-7-21-13-10-14(23)15-16(19(13)26)18(25)12-5-2-1-4-11(12)17(15)24/h1-2,4-5,10,20-23,26H,3,6-9H2
|
|||
| InChIKey |
VKQCDUDECMFRJO-UHFFFAOYSA-N
|
|||
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.