| General Property |
| Molceule ID (DB) | EGIN0002178 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP407 |
| IUPAC Name | 5-{4-amino-1-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenol |
| Formula | C16H18N6O2 |
| Mass | 326.3531 |
| Exact Mass | 326.1491239 |
| Composition | C (58.88%), H (5.56%), N (25.75%), O (9.8%) |
| Atom Count | 42 |
| PI | 10.09 |
| Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CCNC1)c1cc(c(cc1)OC)O |
| InChI | 1S/C16H18N6O2/c1-24-12-3-2-9(6-11(12)23)14-13-15(17)19-8-20-16(13)22(21-14)10-4-5-18-7-10/h2-3,6,8,1
0,18,23H,4-5,7H2,1H3,(H2,17,19,20)/t10-/m1/s1 |
| InChIKey | BJNPYRHGWJVECX-SNVBAGLBSA-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 |
24905311
|
| Drug Bank Link | - |
| ChemSpider Link | 24605147 |
| ChEMBL Link | CHEMBL1242288 |
