Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08NQM
|
|||
| Former ID |
DNC003455
|
|||
| Drug Name |
5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE
|
|||
| Synonyms |
5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione; AS-605240; 648450-29-7; AS605240; AS 605240; CHEMBL568150; (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione; (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE; 5-(6-QUINOXALINYLMETHYLENE)-2,4-THIAZOLIDINEDIONE; QYT; (Z)-5-(Quinoxalin-6-ylmethylene)thiazolidine-2,4-dione; PI 3-Kg inhibitor; 2a5u; AC1NRCY0; 5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-dione; SCHEMBL668616; GTPL6023; AOB3848; MolPort-006-169-944; HMS3650I15
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C12H7N3O2S
|
|||
| Canonical SMILES |
C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3
|
|||
| InChI |
1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
|
|||
| InChIKey |
SQWZFLMPDUSYGV-POHAHGRESA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
7890172, 8026294, 11041534, 16594487, 26759372, 39321480, 46393784, 46508826, 53685194, 90341202, 99302749, 99437139, 103703191, 113873891, 117646056, 121361720, 123121568, 124659187, 124757232, 125164036, 131480870, 134348368, 135631953, 136340111, 136367417, 136920267, 137183494, 141309610, 144115628, 152258085, 152344517, 160646924, 160967747, 162011467, 162146677, 163564901, 163687481, 177748759, 178102645, 186014811, 204380104, 226965556, 241376531, 252157372, 252450598, 252457912
|
|||
| ChEBI ID |
CHEBI:45302
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6023). | |||
| REF 3 | Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5295-8. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.