General Property |
Molceule ID (DB) | EGIN0002067 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP131 |
IUPAC Name | 3-(isoquinolin-7-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C17H16N6 |
Mass | 304.3491 |
Exact Mass | 304.1436445 |
Composition | C (67.09%), H (5.3%), N (27.61%) |
Atom Count | 39 |
PI | 13.14 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)ccnc2 |
InChI | 1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-4-3-11-5-6-19-8-13(11)7-12/h3-10H,1-2H3,(H
2,18,20,21) |
InChIKey | MONJJHLZSIEMDE-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 |
24905217
|
Drug Bank Link | - |
ChemSpider Link | 24605242 |
ChEMBL Link | CHEMBL1242208 |