General Property |
Molceule ID (DB) | EGIN0002072 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP206 |
IUPAC Name | 3-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C13H13N5 |
Mass | 239.2758 |
Exact Mass | 239.1170954 |
Composition | C (65.25%), H (5.48%), N (29.27%) |
Atom Count | 31 |
PI | 7.94 |
Smiles | c1(ncnc2c1c(n[nH]2)c1c(c(ccc1)C)C)N |
InChI | 1S/C13H13N5/c1-7-4-3-5-9(8(7)2)11-10-12(14)15-6-16-13(10)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18) |
InChIKey | AOJDXERKDPWWFJ-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 | 18849971 |
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 |
24905255
|
Drug Bank Link | - |
ChemSpider Link | 24605204 |
ChEMBL Link | CHEMBL1241145 |