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 | ![](./image/EGIN0004026.png) | Structure Backbone | ![](./frame/f_EGIN0004026.png) |
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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 |