| General Property |
| Molceule ID (DB) | EGIN0002221 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP86 |
| IUPAC Name | tert-butyl 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indole-1-carboxylate |
| Formula | C21H24N6O2 |
| Mass | 392.4543 |
| Exact Mass | 392.196074 |
| Composition | C (64.27%), H (6.16%), N (21.41%), O (8.15%) |
| Atom Count | 53 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)n(cc2)C(=O)OC(C)(C)C |
| InChI | 1S/C21H24N6O2/c1-12(2)27-19-16(18(22)23-11-24-19)17(25-27)14-6-7-15-13(10-14)8-9-26(15)20(28)29-21(3
,4)5/h6-12H,1-5H3,(H2,22,23,24) |
| InChIKey | PFRDPPRTLFHGLR-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 |
24905185
|
| Drug Bank Link | - |
| ChemSpider Link | 24605275 |
| ChEMBL Link | CHEMBL1242852 |
