General Property |
Molceule ID (DB) | EGIN0002185 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP430 |
IUPAC Name | 5-{4-amino-1-[(3R)-oxolan-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
Formula | C15H14ClN5O2 |
Mass | 331.757 |
Exact Mass | 331.0836024 |
Composition | C (54.3%), H (4.25%), Cl (10.69%), N (21.11%), O (9.65%) |
Atom Count | 37 |
PI | 7.02 |
Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CCOC1)c1cc(c(cc1)Cl)O |
InChI | 1S/C15H14ClN5O2/c16-10-2-1-8(5-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-3-4-23-6-9/h1-2,5,7,9,2
2H,3-4,6H2,(H2,17,18,19)/t9-/m1/s1 |
InChIKey | COAQRADEUYYCDG-SECBINFHSA-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 |
24905318
|
Drug Bank Link | - |
ChemSpider Link | 24605140 |
ChEMBL Link | CHEMBL1241768 |