General Property |
Molceule ID (DB) | EGIN0002151 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP281 |
IUPAC Name | 2-amino-5-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol |
Formula | C16H18N6O |
Mass | 310.3537 |
Exact Mass | 310.1542092 |
Composition | C (61.92%), H (5.85%), N (27.08%), O (5.16%) |
Atom Count | 41 |
PI | 8.21 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)N)O |
InChI | 1S/C16H18N6O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-
4,17H2,(H2,18,19,20) |
InChIKey | ZHBTZVAVYLOIKW-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 |
24905281
|
Drug Bank Link | - |
ChemSpider Link | 24605177 |
ChEMBL Link | CHEMBL1241487 |