| General Property |
| Molceule ID (DB) | EGIN0004369 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | PKI-166 |
| IUPAC Name | 4-(4-{[(1R)-1-phenylethyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenol |
| Formula | C20H18N4O |
| Mass | 330.3831 |
| Exact Mass | 330.1480612 |
| Composition | C (72.71%), H (5.49%), N (16.96%), O (4.84%) |
| Atom Count | 43 |
| PI | 8.55 |
| Smiles | c1(ncnc2c1cc([nH]2)c1ccc(cc1)O)N[C@@H](c1ccccc1)C |
| InChI | 1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25
H,1H3,(H2,21,22,23,24)/t13-/m1/s1 |
| InChIKey | XRYJULCDUUATMC-CYBMUJFWSA-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 | 15711537 |
| 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 |
6918403
|
| Drug Bank Link | - |
| ChemSpider Link | 5293600 |
| ChEMBL Link | CHEMBL1963502 |
