| General Property |
| Molceule ID (DB) | EGIN0002077 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP31 |
| IUPAC Name | 1-{4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}ethan-1-one |
| Formula | C16H17N5O |
| Mass | 295.3391 |
| Exact Mass | 295.1433102 |
| Composition | C (65.07%), H (5.8%), N (23.71%), O (5.42%) |
| Atom Count | 39 |
| PI | 11.24 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1ccc(cc1)C(=O)C |
| InChI | 1S/C16H17N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)12-6-4-11(5-7-12)10(3)22/h4-9H,1-3H3,(H2,17,1
8,19) |
| InChIKey | GZMVQSNFLJUEMM-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 | 18849971 |
| 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 |
24905155
|
| Drug Bank Link | - |
| ChemSpider Link | 24605306 |
| ChEMBL Link | CHEMBL1241773 |
