| General Property |
| Molceule ID (DB) | EGIN0002174 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP40 |
| IUPAC Name | N-{4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}methanesulfonamide |
| Formula | C15H18N6O2S |
| Mass | 346.407 |
| Exact Mass | 346.1211945 |
| Composition | C (52.01%), H (5.24%), N (24.26%), O (9.24%), S (9.26%) |
| Atom Count | 42 |
| PI | 7.84 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1ccc(cc1)NS(=O)(=O)C |
| InChI | 1S/C15H18N6O2S/c1-9(2)21-15-12(14(16)17-8-18-15)13(19-21)10-4-6-11(7-5-10)20-24(3,22)23/h4-9,20H,1-3
H3,(H2,16,17,18) |
| InChIKey | HMKCVXALDWCZFL-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 |
24905161
|
| Drug Bank Link | - |
| ChemSpider Link | 24605300 |
| ChEMBL Link | CHEMBL1242030 |
