General Property |
Molceule ID (DB) | EGIN0002201 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP494 |
IUPAC Name | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C17H19N5O2 |
Mass | 325.3651 |
Exact Mass | 325.1538749 |
Composition | C (62.75%), H (5.89%), N (21.52%), O (9.83%) |
Atom Count | 43 |
PI | 13.13 |
Smiles | C1CCC1n1nc(c2c1ncnc2N)c1cc(c(cc1)OC)OC |
InChI | 1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3
-5H2,1-2H3,(H2,18,19,20) |
InChIKey | ITOYZJGFTNTKKR-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 |
24905153
|
Drug Bank Link | - |
ChemSpider Link | 24605308 |
ChEMBL Link | CHEMBL1233881 |