| General Property |
| Molceule ID (DB) | EGIN0002105 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP118 |
| IUPAC Name | 3-(2-methylquinolin-6-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C18H18N6 |
| Mass | 318.3757 |
| Exact Mass | 318.1592946 |
| Composition | C (67.9%), H (5.7%), N (26.4%) |
| Atom Count | 42 |
| PI | 13.14 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)nc(cc2)C |
| InChI | 1S/C18H18N6/c1-10(2)24-18-15(17(19)20-9-21-18)16(23-24)13-6-7-14-12(8-13)5-4-11(3)22-14/h4-10H,1-3H3
,(H2,19,20,21) |
| InChIKey | ZNUODSNRAGKDRE-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 |
24905208
|
| Drug Bank Link | - |
| ChemSpider Link | 24605251 |
| ChEMBL Link | CHEMBL1241682 |
