| General Property |
| Molceule ID (DB) | EGIN0003041 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 5m compound |
| IUPAC Name | 4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-[(1E)-4-(4-ethylpiperazin-1-yl)but-1-en-1-yl]quinoline-3-carbonitrile |
| Formula | C30H32ClN7S |
| Mass | 558.14 |
| Exact Mass | 557.2128425 |
| Composition | C (64.56%), H (5.78%), Cl (6.35%), N (17.57%), S (5.74%) |
| Atom Count | 71 |
| PI | 12.68 |
| Smiles | n1cc(c(c2c1cc(cc2)/C=C/CCN1CCN(CC1)CC)Nc1ccc(c(c1)Cl)Sc1nccn1C)C#N |
| InChI | 1S/C30H32ClN7S/c1-3-37-14-16-38(17-15-37)12-5-4-6-22-7-9-25-27(18-22)34-21-23(20-32)29(25)35-24-8-10
-28(26(31)19-24)39-30-33-11-13-36(30)2/h4,6-11,13,18-19,21H,3,5,12,14-17H2,1-2H3,(H,34,35)/b6-4+ |
| InChIKey | OYAMULIHRWEUAR-GQCTYLIASA-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 | 18815050 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PI3K alpha | MK2 | AKT | mTOR | Tpl2 | EGFR | KDR | MEK1 | P70S6 | IGFR | PKC theta | PDK1 | IR | Src | Lyn | B-raf | IKK beta | ALL |
| Pub Chem Link |
25211064
|
| Drug Bank Link | - |
| ChemSpider Link | 24703477 |
| ChEMBL Link | CHEMBL489058 |
