General Property |
Molceule ID (DB) | EGIN0002132 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP151 |
IUPAC Name | 4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile |
Formula | C15H13FN6 |
Mass | 296.3023 |
Exact Mass | 296.1185727 |
Composition | C (60.8%), H (4.42%), F (6.41%), N (28.36%) |
Atom Count | 35 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)C#N)F |
InChI | 1S/C15H13FN6/c1-8(2)22-15-12(14(18)19-7-20-15)13(21-22)9-3-4-10(6-17)11(16)5-9/h3-5,7-8H,1-2H3,(H2,1
8,19,20) |
InChIKey | KKPLVYMQNDOYMQ-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 |
24905237
|
Drug Bank Link | - |
ChemSpider Link | 24605222 |
ChEMBL Link | CHEMBL1241771 |