| General Property |
| Molceule ID (DB) | EGIN0004029 |
| Inhibitor Class | Triazole |
| Molecule Name in Refrence Article | 3n compound |
| IUPAC Name | 5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide |
| Formula | C15H13F2N7O2S2 |
| Mass | 425.436 |
| Exact Mass | 425.0540205 |
| Composition | C (42.35%), H (3.08%), F (8.93%), N (23.05%), O (7.52%), S (15.07%) |
| Atom Count | 41 |
| PI | 4.12 |
| Smiles | Fc1cccc(F)c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N |
| InChI | 1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)2
6/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23) |
| InChIKey | ARIOBGGRZJITQX-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 | insulin kinase beta | casein kinase 2 | CDK2/cyclinA | CDK1/cyclinB | MAP kinase/ERK2 | GSK-3 | PDGFR beta | Casein Kinase 1 | VEGFR2 | PKA | calmodulin kinase | ALL |
| Pub Chem Link |
5330812
|
| Drug Bank Link | DB07664 |
| ChemSpider Link | 4487963 |
| ChEMBL Link | CHEMBL261720 |
