General Property |
Molceule ID (DB) | EGIN0002189 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP454 |
IUPAC Name | 5-{4-amino-1-[(2S)-1-aminopropan-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C14H15FN6O |
Mass | 302.3069 |
Exact Mass | 302.1291373 |
Composition | C (55.62%), H (5%), F (6.28%), N (27.8%), O (5.29%) |
Atom Count | 37 |
PI | 8.83 |
Smiles | n1cnc2c(c1N)c(nn2[C@@H](C)CN)c1cc(c(cc1)F)O |
InChI | 1S/C14H15FN6O/c1-7(5-16)21-14-11(13(17)18-6-19-14)12(20-21)8-2-3-9(15)10(22)4-8/h2-4,6-7,22H,5,16H2,
1H3,(H2,17,18,19)/t7-/m0/s1 |
InChIKey | KLQFQJDEPBUNAK-ZETCQYMHSA-N |
2D Structure | ![](./image/EGIN0002189.png) | Structure Backbone | ![](./frame/f_EGIN0002189.png) |
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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 |
24905323
|
Drug Bank Link | - |
ChemSpider Link | 24605135 |
ChEMBL Link | CHEMBL1242468 |