| General Property |
| Molceule ID (DB) | EGIN0002084 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP391 |
| IUPAC Name | 5-(4-amino-1-{2-[(3R)-piperidin-3-yl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol |
| Formula | C18H21ClN6O |
| Mass | 372.852 |
| Exact Mass | 372.146537 |
| Composition | C (57.98%), H (5.68%), Cl (9.51%), N (22.54%), O (4.29%) |
| Atom Count | 47 |
| PI | 10.49 |
| Smiles | n1cnc2c(c1N)c(nn2CC[C@H]1CCCNC1)c1cc(c(cc1)Cl)O |
| InChI | 1S/C18H21ClN6O/c19-13-4-3-12(8-14(13)26)16-15-17(20)22-10-23-18(15)25(24-16)7-5-11-2-1-6-21-9-11/h3-
4,8,10-11,21,26H,1-2,5-7,9H2,(H2,20,22,23)/t11-/m1/s1 |
| InChIKey | TXZDVQGUIJKUMP-LLVKDONJSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 26352785 |
| ChEMBL Link | CHEMBL1241943 |
