| General Property |
| Molceule ID (DB) | EGIN0004047 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | 3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-4-methyl-N-(1,2-oxazol-3-yl)benzamide |
| Formula | C21H21N7O2 |
| Mass | 403.4371 |
| Exact Mass | 403.175673 |
| Composition | C (62.52%), H (5.25%), N (24.3%), O (7.93%) |
| Atom Count | 51 |
| PI | 5.53 |
| Smiles | c1(c(Nc2cc(C(=O)Nc3nocc3)ccc2C)ncnc1NC1CCCC1)C#N |
| InChI | 1S/C21H21N7O2/c1-13-6-7-14(21(29)27-18-8-9-30-28-18)10-17(13)26-20-16(11-22)19(23-12-24-20)25-15-4-2
-3-5-15/h6-10,12,15H,2-5H2,1H3,(H,27,28,29)(H2,23,24,25,26) |
| InChIKey | JLIDQWKTZPUAMJ-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 | 16190753 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | p38 beta | IKK | cdk2 | MEK | KDR | p38 delta | p38 gamma | Raf | ERK | Akt | CaMKII | FGF | GSK-3 | IGF1R | Itk | JAK3 | Lck | Met | MK2 | PKA | PKC | Syk | p38 alpha | ALL |
| Pub Chem Link |
11235063
|
| Drug Bank Link | - |
| ChemSpider Link | 9410110 |
| ChEMBL Link | CHEMBL383172 |
