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 | |
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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 | 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 |