| General Property |
| Molceule ID (DB) | EGIN0002740 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | methyl 3-(2-{[3-(3-methoxy-3-oxopropyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)propanoate |
| 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(n(c2c(c1CCC(=O)OC)cccc2)C)SSc1n(c2c(c1CCC(=O)OC)cccc2)C |
| InChI | 1S/C26H28N2O4S2/c1-27-21-11-7-5-9-17(21)19(13-15-23(29)31-3)25(27)33-34-26-20(14-16-24(30)32-4)18-10
-6-8-12-22(18)28(26)2/h5-12H,13-16H2,1-4H3 |
| InChIKey | DINHMKFQZIUDRX-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 | 7837241 | 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 |
5328561
|
| Drug Bank Link | - |
| ChemSpider Link | 4485725 |
| ChEMBL Link | CHEMBL314029 |
