| General Property |
| Molceule ID (DB) | EGIN0002220 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP85 |
| IUPAC Name | 3-(3-bromo-5-methoxyphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C15H16BrN5O |
| Mass | 362.224 |
| Exact Mass | 361.0538228 |
| Composition | C (49.74%), H (4.45%), Br (22.06%), N (19.33%), O (4.42%) |
| Atom Count | 38 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(cc(c1)Br)OC |
| InChI | 1S/C15H16BrN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-10(16)6-11(5-9)22-3/h4-8H,1-3H3,(H2,17,
18,19) |
| InChIKey | FXCRGRHHHOSJRE-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 |
24905184
|
| Drug Bank Link | - |
| ChemSpider Link | 24605276 |
| ChEMBL Link | CHEMBL1242200 |
