| General Property |
| Molceule ID (DB) | EGIN0002066 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP111 |
| IUPAC Name | 1-methyl-3-(quinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C15H12N6 |
| Mass | 276.296 |
| Exact Mass | 276.1123444 |
| Composition | C (65.21%), H (4.38%), N (30.42%) |
| Atom Count | 33 |
| PI | 13.16 |
| Smiles | n1cnc2c(c1N)c(nn2C)c1cc2c(cc1)nccc2 |
| InChI | 1S/C15H12N6/c1-21-15-12(14(16)18-8-19-15)13(20-21)10-4-5-11-9(7-10)3-2-6-17-11/h2-8H,1H3,(H2,16,18,1
9) |
| InChIKey | UGUJFPIEAZXKAK-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 |
24905204
|
| Drug Bank Link | DB08054 |
| ChemSpider Link | 24605255 |
| ChEMBL Link | CHEMBL1242756 |
