| General Property |
| Molceule ID (DB) | EGIN0002092 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP87 |
| IUPAC Name | 3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-bromophenol |
| Formula | C14H14BrN5O |
| Mass | 348.198 |
| Exact Mass | 347.0381727 |
| Composition | C (48.29%), H (4.05%), Br (22.95%), N (20.11%), O (4.59%) |
| Atom Count | 35 |
| PI | 7.49 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(cc(c1)Br)O |
| InChI | 1S/C14H14BrN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8/h3-7,21H,1-2H3,(H2,16,
17,18) |
| InChIKey | QYPSALIXKCRYNZ-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 |
24905186
|
| Drug Bank Link | - |
| ChemSpider Link | 24605274 |
| ChEMBL Link | CHEMBL1242285 |
