General Property |
Molceule ID (DB) | EGIN0002136 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP156 |
IUPAC Name | 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one |
Formula | C15H15N7O |
Mass | 309.3259 |
Exact Mass | 309.1338081 |
Composition | C (58.24%), H (4.89%), N (31.7%), O (5.17%) |
Atom Count | 38 |
PI | 9.57 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)[nH]c(=O)[nH]2 |
InChI | 1S/C15H15N7O/c1-7(2)22-14-11(13(16)17-6-18-14)12(21-22)8-3-4-9-10(5-8)20-15(23)19-9/h3-7H,1-2H3,(H2,
16,17,18)(H2,19,20,23) |
InChIKey | DUQGHTXMYYQABR-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 |
24905241
|
Drug Bank Link | - |
ChemSpider Link | 24605218 |
ChEMBL Link | CHEMBL1241586 |