| General Property |
| Molceule ID (DB) | EGIN0002989 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | 3-(2-{[3-(2-carboxyethyl)-7-methyl-1H-indol-2-yl]disulfanyl}-7-methyl-1H-indol-3-yl)propanoic 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(c1CCC(=O)O)cccc2C)SSc1[nH]c2c(c1CCC(=O)O)cccc2C |
| InChI | 1S/C24H24N2O4S2/c1-13-5-3-7-15-17(9-11-19(27)28)23(25-21(13)15)31-32-24-18(10-12-20(29)30)16-8-4-6-1
4(2)22(16)26-24/h3-8,25-26H,9-12H2,1-2H3,(H,27,28)(H,29,30) |
| InChIKey | VSGQCGRYAAEEEL-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 |
5328564
|
| Drug Bank Link | - |
| ChemSpider Link | 4485728 |
| ChEMBL Link | CHEMBL81664 |
