| General Property |
| Molceule ID (DB) | EGIN0002179 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP409 |
| IUPAC Name | 5-{4-amino-1-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
| Formula | C15H15ClN6O |
| Mass | 330.772 |
| Exact Mass | 330.0995868 |
| Composition | C (54.47%), H (4.57%), Cl (10.72%), N (25.41%), O (4.84%) |
| Atom Count | 38 |
| PI | 9.12 |
| Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CCNC1)c1cc(c(cc1)Cl)O |
| InChI | 1S/C15H15ClN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18
,23H,3-4,6H2,(H2,17,19,20)/t9-/m1/s1 |
| InChIKey | UBJGLXSFXKIIFY-SECBINFHSA-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 |
24905312
|
| Drug Bank Link | - |
| ChemSpider Link | 24605146 |
| ChEMBL Link | CHEMBL1241677 |
