| General Property |
| Molceule ID (DB) | EGIN0003155 |
| Inhibitor Class | Pyrrolo-pyridine |
| Molecule Name in Refrence Article | 44 compound |
| IUPAC Name | N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-4-bromo-5-{1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-carboxamide |
| Formula | C21H18BrFN4OS |
| Mass | 473.361 |
| Exact Mass | 472.0368728 |
| Composition | C (53.28%), H (3.83%), Br (16.88%), F (4.01%), N (11.84%), O (3.38%), S (6.77%) |
| Atom Count | 47 |
| PI | 11.55 |
| Smiles | c1(cc(sc1c1ccnc2c1cc[nH]2)C(=O)N[C@H](CN)Cc1cccc(c1)F)Br |
| InChI | 1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(
23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1 |
| InChIKey | KEBMSGAJMPWLNS-AWEZNQCLSA-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 | 19285393 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | AKT2 | AKT3 | EGFR | GSK-3 | MAPKAPK2 | P38a | PIM1 | PKC alpha | ROCK1 | SYK | ALL |
| Pub Chem Link |
44592504
|
| Drug Bank Link | - |
| ChemSpider Link | 24719803 |
| ChEMBL Link | CHEMBL523586 |
