| General Property |
| Molceule ID (DB) | EGIN0002152 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP306 |
| IUPAC Name | 2-[4-amino-3-(3-ethoxy-4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethan-1-ol |
| Formula | C16H19N5O3 |
| Mass | 329.3538 |
| Exact Mass | 329.1487895 |
| Composition | C (58.35%), H (5.81%), N (21.26%), O (14.57%) |
| Atom Count | 43 |
| PI | 10.99 |
| Smiles | n1cnc2c(c1N)c(nn2CCO)c1cc(c(cc1)OC)OCC |
| InChI | 1S/C16H19N5O3/c1-3-24-12-8-10(4-5-11(12)23-2)14-13-15(17)18-9-19-16(13)21(20-14)6-7-22/h4-5,8-9,22H,
3,6-7H2,1-2H3,(H2,17,18,19) |
| InChIKey | KIWLNXLVLDAZRB-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 |
52940797
|
| Drug Bank Link | - |
| ChemSpider Link | 26349750 |
| ChEMBL Link | CHEMBL1242753 |
