| General Property |
| Molceule ID (DB) | EGIN0003404 |
| Inhibitor Class | Triazine-pyridine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 3-[(4-{4-[(3-chlorophenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]propan-1-ol |
| Formula | C17H17ClN6O |
| Mass | 356.809 |
| Exact Mass | 356.1152369 |
| Composition | C (57.22%), H (4.8%), Cl (9.94%), N (23.55%), O (4.48%) |
| Atom Count | 42 |
| PI | 8.4 |
| Smiles | n1c(ncnc1c1cc(ncc1)NCCCO)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,
9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24) |
| InChIKey | AAYPLLWGPJQWCC-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 | 15999992 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | calmodulin kinase 2 | Casein kinase 2 | FGFR-2 | Insulin R kinase | MAPK/ERK2 | PDGFR | PKA | PKB beta | PKC gamma | CDK7/cyclinH | GSK-3 beta | CDK1/cyclinB | CDK5/p35 | Casein kinase 1 | CDK4/cyclinD1 | VEGFR2 | CDK6/cyclinD3 | CDK2/cyclinA | ALL |
| Pub Chem Link |
9863538
|
| Drug Bank Link | - |
| ChemSpider Link | 8039234 |
| ChEMBL Link | CHEMBL191336 |
