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 | ![](./image/EGIN0004369.png) | Structure Backbone | ![](./frame/f_EGIN0004369.png) |
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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 |