General Property |
Molceule ID (DB) | EGIN0002117 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP135 |
IUPAC Name | 3-(1-methyl-1H-indol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C17H18N6 |
Mass | 306.365 |
Exact Mass | 306.1592946 |
Composition | C (66.65%), H (5.92%), N (27.43%) |
Atom Count | 41 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)n(cc2)C |
InChI | 1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H
2,18,19,20) |
InChIKey | SPUWUOGLPPVXCW-UHFFFAOYSA-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 |
24905221
|
Drug Bank Link | - |
ChemSpider Link | 24605238 |
ChEMBL Link | CHEMBL1242384 |