| General Property |
| Molceule ID (DB) | EGIN0002104 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP116 |
| IUPAC Name | 3-(6-ethoxynaphthalen-2-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C18H17N5O |
| Mass | 319.3605 |
| Exact Mass | 319.1433102 |
| Composition | C (67.7%), H (5.37%), N (21.93%), O (5.01%) |
| Atom Count | 41 |
| PI | 13.15 |
| Smiles | n1cnc2c(c1N)c(nn2C)c1cc2c(cc1)cc(cc2)OCC |
| InChI | 1S/C18H17N5O/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16/h4-10H,3H2,
1-2H3,(H2,19,20,21) |
| InChIKey | AXQKJTHCYRYSLF-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 |
24905207
|
| Drug Bank Link | - |
| ChemSpider Link | 24605252 |
| ChEMBL Link | CHEMBL1242661 |
