| General Property |
| Molceule ID (DB) | EGIN0002138 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP158 |
| IUPAC Name | 6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-3,4-dihydroquinazolin-4-one |
| Formula | C16H15N7O |
| Mass | 321.3366 |
| Exact Mass | 321.1338081 |
| Composition | C (59.8%), H (4.71%), N (30.51%), O (4.98%) |
| Atom Count | 39 |
| PI | 8.39 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)nc[nH]c2=O |
| InChI | 1S/C16H15N7O/c1-8(2)23-15-12(14(17)19-7-20-15)13(22-23)9-3-4-11-10(5-9)16(24)21-6-18-11/h3-8H,1-2H3,
(H2,17,19,20)(H,18,21,24) |
| InChIKey | QVFCDPRQRUAFKS-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 |
24905243
|
| Drug Bank Link | - |
| ChemSpider Link | 24605216 |
| ChEMBL Link | CHEMBL1241776 |
