| General Property |
| Molceule ID (DB) | EGIN0004028 |
| Inhibitor Class | Triazole |
| Molecule Name in Refrence Article | 3f compound |
| IUPAC Name | 4-({5-amino-1-[(3-methylthiophen-2-yl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide |
| Formula | C14H14N6O3S2 |
| Mass | 378.429 |
| Exact Mass | 378.0568797 |
| Composition | C (44.43%), H (3.73%), N (22.21%), O (12.68%), S (16.95%) |
| Atom Count | 39 |
| PI | 4.28 |
| Smiles | n1(c(nc(n1)Nc1ccc(S(=O)(=O)N)cc1)N)C(=O)c1c(ccs1)C |
| InChI | 1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,
(H2,16,22,23)(H3,15,17,18,19) |
| InChIKey | KQWTXAWKBUUOMU-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 | Casein kinase 2 | PKC alpha/gamma | PKC beta2 | CDK2/cyclinA | calmodulin kinase | CDK4/cyclinD1 | FGFR2 | insulin kinase beta | GSK-3 | PDGFR beta | CDK1/cyclinB | PKA | VEGFR2 | Casein kinase 1 | MAP kinase/ERK2 | ALL |
| Pub Chem Link |
5330804
|
| Drug Bank Link | - |
| ChemSpider Link | 4487955 |
| ChEMBL Link | CHEMBL363130 |
