| General Property |
| Molceule ID (DB) | EGIN0004026 |
| Inhibitor Class | Triazole |
| Molecule Name in Refrence Article | JNJ-7706621 |
| IUPAC Name | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide |
| Formula | C15H12F2N6O3S |
| Mass | 394.356 |
| Exact Mass | 394.0659654 |
| Composition | C (45.68%), H (3.07%), F (9.64%), N (21.31%), O (12.17%), S (8.13%) |
| Atom Count | 39 |
| PI | 4.28 |
| Smiles | c1(c(cccc1F)F)C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N |
| InChI | 1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1
-7H,(H2,19,25,26)(H3,18,20,21,22) |
| InChIKey | KDKUVYLMPJIGKA-UHFFFAOYSA-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 | 15974571 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | calmodulin kinase | casein kinase 2 | insulin kinase beta | PKA | PKC beta2 | CDK4/cyclinD1 | Casein Kinase 1 | PDGFR beta | VEGFR2 | MAP kinase/ERK2 | CDK2/cyclinA | FGFR2 | PKC alpha/gamma | GSK-3 | CDK1/cyclinB | ALL |
| Pub Chem Link |
5330790
|
| Drug Bank Link | - |
| ChemSpider Link | 4487941 |
| ChEMBL Link | CHEMBL191003 |
