| General Property |
| Molceule ID (DB) | EGIN0004881 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | AEE788 |
| IUPAC Name | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C27H32N6 |
| Mass | 440.5832 |
| Exact Mass | 440.2688451 |
| Composition | C (73.6%), H (7.32%), N (19.07%) |
| Atom Count | 65 |
| PI | 10.51 |
| Smiles | n1cnc(c2c1[nH]c(c2)c1ccc(cc1)CN1CCN(CC1)CC)N[C@@H](c1ccccc1)C |
| InChI | 1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(
2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1 |
| InChIKey | OONFNUWBHFSNBT-HXUWFJFHSA-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 | 17349580 | 18227510 | |
| 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 |
10297043
|
| Drug Bank Link | - |
| ChemSpider Link | 8472511 |
| ChEMBL Link | CHEMBL587723 |
