| General Property |
| Molceule ID (DB) | EGIN0003405 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 59 compound |
| IUPAC Name | 2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile |
| Formula | C20H16N6S |
| Mass | 372.446 |
| Exact Mass | 372.1157152 |
| Composition | C (64.5%), H (4.33%), N (22.56%), S (8.61%) |
| Atom Count | 43 |
| PI | 8.38 |
| Smiles | c1(cnccc1)CCNc1nc(ccn1)/C(=c/1[nH]c2c(s1)cccc2)/C#N |
| InChI | 1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1
-6,8-9,11,13,25H,7,10H2,(H,23,24,26)/b19-15+ |
| InChIKey | AVLYNJZZQYEFEA-XDJHFCHBSA-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 | 15999997 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT | CHK1 | EGF | ERK1 | IKKb | MAPKAPK2 | MEK1 | MKK4 | MKK7b | P56Lck | p70S6K | PDK1 | PI3K gamma | PKC | PRAK | c-Src | c-Raf | CDK2/CycA | JNK1 | JNK2 | P38a | Blk | MKK6 | MSK1 | ROCK-II | Rsk2 | SGK | JNK3 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4925394 |
| ChEMBL Link | CHEMBL191384 |
