General Property |
Molceule ID (DB) | EGIN0002177 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP405 |
IUPAC Name | 5-{4-amino-1-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C15H15FN6O |
Mass | 314.3176 |
Exact Mass | 314.1291373 |
Composition | C (57.32%), H (4.81%), F (6.04%), N (26.74%), O (5.09%) |
Atom Count | 38 |
PI | 9.35 |
Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CCNC1)c1cc(c(cc1)F)O |
InChI | 1S/C15H15FN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,
23H,3-4,6H2,(H2,17,19,20)/t9-/m1/s1 |
InChIKey | FHNLPTRXVQOXQO-SECBINFHSA-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 |
24905310
|
Drug Bank Link | - |
ChemSpider Link | 24605148 |
ChEMBL Link | CHEMBL1242658 |