General Property |
Molceule ID (DB) | EGIN0002158 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP333 |
IUPAC Name | 5-{4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methylphenol |
Formula | C13H13N5O |
Mass | 255.2752 |
Exact Mass | 255.1120101 |
Composition | C (61.17%), H (5.13%), N (27.43%), O (6.27%) |
Atom Count | 32 |
PI | 8.26 |
Smiles | n1cnc2c(c1N)c(nn2C)c1cc(c(cc1)C)O |
InChI | 1S/C13H13N5O/c1-7-3-4-8(5-9(7)19)11-10-12(14)15-6-16-13(10)18(2)17-11/h3-6,19H,1-2H3,(H2,14,15,16) |
InChIKey | GRWJFKQBVQNWQW-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 | 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 |
24905290
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Drug Bank Link | - |
ChemSpider Link | 24605169 |
ChEMBL Link | CHEMBL1241271 |