| General Property |
| Molceule ID (DB) | EGIN0002202 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP495 |
| IUPAC Name | (2S)-3-[4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol |
| Formula | C17H21N5O3 |
| Mass | 343.3803 |
| Exact Mass | 343.1644396 |
| Composition | C (59.46%), H (6.16%), N (20.4%), O (13.98%) |
| Atom Count | 46 |
| PI | 11.01 |
| Smiles | n1cnc2c(c1N)c(nn2C[C@H](C)CO)c1cc(c(cc1)OC)OC |
| InChI | 1S/C17H21N5O3/c1-10(8-23)7-22-17-14(16(18)19-9-20-17)15(21-22)11-4-5-12(24-2)13(6-11)25-3/h4-6,9-10,
23H,7-8H2,1-3H3,(H2,18,19,20)/t10-/m0/s1 |
| InChIKey | ORVLOIUKTHUQPU-JTQLQIEISA-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 |
24905335
|
| Drug Bank Link | - |
| ChemSpider Link | 24605123 |
| ChEMBL Link | CHEMBL1242380 |
