| General Property |
| Molceule ID (DB) | EGIN0002116 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP134 |
| IUPAC Name | 3-(2-chloroquinolin-3-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C17H15ClN6 |
| Mass | 338.794 |
| Exact Mass | 338.1046722 |
| Composition | C (60.27%), H (4.46%), Cl (10.46%), N (24.81%) |
| Atom Count | 39 |
| PI | 13.1 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(nc1Cl)cccc2 |
| InChI | 1S/C17H15ClN6/c1-9(2)24-17-13(16(19)20-8-21-17)14(23-24)11-7-10-5-3-4-6-12(10)22-15(11)18/h3-9H,1-2H
3,(H2,19,20,21) |
| InChIKey | ICDLHJHOKRQIIV-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 |
24905220
|
| Drug Bank Link | - |
| ChemSpider Link | 24605239 |
| ChEMBL Link | CHEMBL1242663 |
