General Property |
Molceule ID (DB) | EGIN0002083 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP38 |
IUPAC Name | N-{3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}methanesulfonamide |
Formula | C15H18N6O2S |
Mass | 346.407 |
Exact Mass | 346.1211945 |
Composition | C (52.01%), H (5.24%), N (24.26%), O (9.24%), S (9.26%) |
Atom Count | 42 |
PI | 7.99 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(ccc1)NS(=O)(=O)C |
InChI | 1S/C15H18N6O2S/c1-9(2)21-15-12(14(16)17-8-18-15)13(19-21)10-5-4-6-11(7-10)20-24(3,22)23/h4-9,20H,1-3
H3,(H2,16,17,18) |
InChIKey | SSVLAVRFVKSIND-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002083.png) | Structure Backbone | ![](./frame/f_EGIN0002083.png) |
|
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 |
24905159
|
Drug Bank Link | - |
ChemSpider Link | 24605302 |
ChEMBL Link | CHEMBL1241948 |