General Property |
Molceule ID (DB) | EGIN0002139 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP159 |
IUPAC Name | 3-(4-fluoro-1H-indazol-6-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C15H14FN7 |
Mass | 311.317 |
Exact Mass | 311.1294717 |
Composition | C (57.87%), H (4.53%), F (6.1%), N (31.49%) |
Atom Count | 37 |
PI | 9.76 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(c(c1)F)cn[nH]2 |
InChI | 1S/C15H14FN7/c1-7(2)23-15-12(14(17)18-6-19-15)13(22-23)8-3-10(16)9-5-20-21-11(9)4-8/h3-7H,1-2H3,(H,2
0,21)(H2,17,18,19) |
InChIKey | VVLOLXBDTFEURK-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 |
24905244
|
Drug Bank Link | - |
ChemSpider Link | 24605215 |
ChEMBL Link | CHEMBL1242573 |