General Property |
Molceule ID (DB) | EGIN0001402 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 15b compound |
IUPAC Name | (3R,5S)-5-[2-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
Formula | C29H27ClN6O4S |
Mass | 591.08 |
Exact Mass | 590.1503018 |
Composition | C (58.93%), H (4.6%), Cl (6%), N (14.22%), O (10.83%), S (5.42%) |
Atom Count | 65 |
PI | 11.47 |
Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1ccccn1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
InChI | 1S/C29H27ClN6O4S/c30-24-14-20(5-7-26(24)39-17-21-3-1-2-8-31-21)35-28-27-25(33-18-34-28)15-23(41-27)6
-4-19-13-22(16-32-19)40-29(37)36-9-11-38-12-10-36/h1-3,5,7-8,14-15,18-19,22,32H,9-13,16-17H2,(H,33,3
4,35)/t19-,22-/m1/s1 |
InChIKey | WFTNHECJAZFTJB-DENIHFKCSA-N |
2D Structure | ![](./image/EGIN0001402.png) | Structure Backbone | ![](./frame/f_EGIN0001402.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 | 19208477 |
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 |
25263246
|
Drug Bank Link | - |
ChemSpider Link | 23335461 |
ChEMBL Link | CHEMBL504117 |