Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0UB3V
|
|||
| Former ID |
DNC011323
|
|||
| Drug Name |
NSC-640584
|
|||
| Synonyms |
NSC640584; NSC-640584; CHEMBL476968; 3-(3,4-Dichlorophenyl)-1-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2-propen-1-one; AC1NS0FC; AC1Q3O7L; 3-(3,4-dichlorophenyl)-1-[2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one; BDBM50332213; CCG-35484; ZINC16957627; (E)-3-(3,4-dichlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one; (E)-3-(3,4-dichlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H19Cl2N3OS
|
|||
| Canonical SMILES |
CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)Cl)Cl
|
|||
| InChI |
1S/C28H19Cl2N3OS/c1-18-27(26(34)15-13-19-12-14-22(29)23(30)16-19)35-28(31-18)33-25(21-10-6-3-7-11-21)17-24(32-33)20-8-4-2-5-9-20/h2-17H,1H3/b15-13+
|
|||
| InChIKey |
GDGXJFJBRMKYDL-FYWRMAATSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Quinone reductase 2 (NQO2) | Target Info | Inhibitor | [1] |
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.