| General Property |
| Molceule ID (DB) | EGIN0002991 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | 4-(2-{[3-(3-carboxypropyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)butanoic acid |
| Formula | C24H24N2O4S2 |
| Mass | 468.588 |
| Exact Mass | 468.1177486 |
| Composition | C (61.52%), H (5.16%), N (5.98%), O (13.66%), S (13.69%) |
| Atom Count | 56 |
| PI | No isoelectric point. |
| Smiles | c1([nH]c2c(c1CCCC(=O)O)cccc2)SSc1[nH]c2c(c1CCCC(=O)O)cccc2 |
| InChI | 1S/C24H24N2O4S2/c27-21(28)13-5-9-17-15-7-1-3-11-19(15)25-23(17)31-32-24-18(10-6-14-22(29)30)16-8-2-4
-12-20(16)26-24/h1-4,7-8,11-12,25-26H,5-6,9-10,13-14H2,(H,27,28)(H,29,30) |
| InChIKey | NDFJNVBQNXXJTB-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 8355247 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
5328565
|
| Drug Bank Link | - |
| ChemSpider Link | 4485729 |
| ChEMBL Link | CHEMBL79531 |
