| General Property |
| Molceule ID (DB) | EGIN0002204 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP502 |
| IUPAC Name | 3-[4-bromo-3-(methoxymethoxy)phenyl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C16H18BrN5O2 |
| Mass | 392.25 |
| Exact Mass | 391.0643875 |
| Composition | C (48.99%), H (4.63%), Br (20.37%), N (17.85%), O (8.16%) |
| Atom Count | 42 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)Br)OCOC |
| InChI | 1S/C16H18BrN5O2/c1-9(2)22-16-13(15(18)19-7-20-16)14(21-22)10-4-5-11(17)12(6-10)24-8-23-3/h4-7,9H,8H2
,1-3H3,(H2,18,19,20) |
| InChIKey | JSGRAJRLMWHOTJ-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 |
24905336
|
| Drug Bank Link | - |
| ChemSpider Link | 24605122 |
| ChEMBL Link | CHEMBL1242286 |
