| General Property |
| Molceule ID (DB) | EGIN0002100 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP108 |
| IUPAC Name | 1-(propan-2-yl)-3-{1H-pyrrolo[2,3-b]pyridin-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C15H15N7 |
| Mass | 293.3265 |
| Exact Mass | 293.1388935 |
| Composition | C (61.42%), H (5.15%), N (33.43%) |
| Atom Count | 37 |
| PI | 10.76 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(nc1)[nH]cc2 |
| InChI | 1S/C15H15N7/c1-8(2)22-15-11(13(16)19-7-20-15)12(21-22)10-5-9-3-4-17-14(9)18-6-10/h3-8H,1-2H3,(H,17,1
8)(H2,16,19,20) |
| InChIKey | KTTGLAHMSDMRLJ-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 |
24905202
|
| Drug Bank Link | - |
| ChemSpider Link | 24605257 |
| ChEMBL Link | CHEMBL1242293 |
