General Property |
Molceule ID (DB) | EGIN0003817 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 2-({6-[(3-methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol |
Formula | C13H16N4O |
Mass | 244.2923 |
Exact Mass | 244.1324112 |
Composition | C (63.91%), H (6.6%), N (22.93%), O (6.55%) |
Atom Count | 34 |
PI | 10.76 |
Smiles | c1(ncnc(c1)NCCO)Nc1cc(ccc1)C |
InChI | 1S/C13H16N4O/c1-10-3-2-4-11(7-10)17-13-8-12(14-5-6-18)15-9-16-13/h2-4,7-9,18H,5-6H2,1H3,(H2,14,15,16
,17) |
InChIKey | JUAWTNMXJGPKET-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 | 10639288 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5328382
|
Drug Bank Link | - |
ChemSpider Link | 4485547 |
ChEMBL Link | CHEMBL415738 |