| General Property |
| Molceule ID (DB) | EGIN0003165 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 2aa compound |
| IUPAC Name | N-[(2S)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide |
| Formula | C19H19Cl2N5OS |
| Mass | 436.358 |
| Exact Mass | 435.0687364 |
| Composition | C (52.3%), H (4.39%), Cl (16.25%), N (16.05%), O (3.67%), S (7.35%) |
| Atom Count | 47 |
| PI | 11.59 |
| Smiles | O=C(c1sc(cc1)c1ccnc(n1)NC)N[C@H](CN)Cc1ccc(Cl)cc1Cl |
| InChI | 1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)2
1/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 |
| InChIKey | HHOVRZGUSBMKKU-ZDUSSCGKSA-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 | 16765046 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | AKT2 | AKT3 | CaMK2 alpha | EGFR | ERK1 | GSK-3 | Kit | Met | PKA | PKC alpha | RAF1 | ALL |
| Pub Chem Link |
16043304
|
| Drug Bank Link | DB07235 |
| ChemSpider Link | 13171845 |
| ChEMBL Link | CHEMBL213618 |
