| General Property |
| Molceule ID (DB) | EGIN0003174 |
| Inhibitor Class | Thieno-pyridine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl}thieno[3,2-b]pyridine-6-carbonitrile |
| Formula | C26H24Cl2N6OS |
| Mass | 539.479 |
| Exact Mass | 538.1109355 |
| Composition | C (57.89%), H (4.48%), Cl (13.14%), N (15.58%), O (2.97%), S (5.94%) |
| Atom Count | 60 |
| PI | 10.97 |
| Smiles | c12sc(cc2ncc(c1Nc1cc(c(cc1Cl)Cl)OC)C#N)c1ncc(CN2CCN(CC2)C)cc1 |
| InChI | 1S/C26H24Cl2N6OS/c1-33-5-7-34(8-6-33)15-16-3-4-20(30-13-16)24-11-22-26(36-24)25(17(12-29)14-31-22)32
-21-10-23(35-2)19(28)9-18(21)27/h3-4,9-11,13-14H,5-8,15H2,1-2H3,(H,31,32) |
| InChIKey | IBRPSHUYWHRYQA-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 | 16125383 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT | CDK4 | IKK | PDK1 | Raf/MEK | Abl | Src | ALL |
| Pub Chem Link |
5330420
|
| Drug Bank Link | - |
| ChemSpider Link | 4487571 |
| ChEMBL Link | CHEMBL373101 |
