| General Property |
| Molceule ID (DB) | EGIN0002992 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | methyl 4-(2-{[3-(4-methoxy-4-oxobutyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)butanoate |
| Formula | C26H28N2O4S2 |
| Mass | 496.642 |
| Exact Mass | 496.1490488 |
| Composition | C (62.88%), H (5.68%), N (5.64%), O (12.89%), S (12.91%) |
| Atom Count | 62 |
| PI | No isoelectric point. |
| Smiles | c1([nH]c2c(c1CCCC(=O)OC)cccc2)SSc1[nH]c2c(c1CCCC(=O)OC)cccc2 |
| InChI | 1S/C26H28N2O4S2/c1-31-23(29)15-7-11-19-17-9-3-5-13-21(17)27-25(19)33-34-26-20(12-8-16-24(30)32-2)18-
10-4-6-14-22(18)28-26/h3-6,9-10,13-14,27-28H,7-8,11-12,15-16H2,1-2H3 |
| InChIKey | LTADMBRWQKYQNQ-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 |
5328567
|
| Drug Bank Link | - |
| ChemSpider Link | 4485731 |
| ChEMBL Link | CHEMBL420400 |
