General Property |
Molceule ID (DB) | EGIN0002990 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 35compound |
IUPAC Name | 4-(2-{[3-(3-carboxypropyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)butanoic acid |
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(c1CCCC(=O)O)cccc2)C)SSc1n(c2c(c1CCCC(=O)O)cccc2)C |
InChI | 1S/C26H28N2O4S2/c1-27-21-13-5-3-9-17(21)19(11-7-15-23(29)30)25(27)33-34-26-20(12-8-16-24(31)32)18-10
-4-6-14-22(18)28(26)2/h3-6,9-10,13-14H,7-8,11-12,15-16H2,1-2H3,(H,29,30)(H,31,32) |
InChIKey | ODNORDFRKWRXFV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002990.png) | Structure Backbone | ![](./frame/f_EGIN0002990.png) |
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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 |
5328566
|
Drug Bank Link | - |
ChemSpider Link | 4485730 |
ChEMBL Link | CHEMBL82214 |