General Property |
Molceule ID (DB) | EGIN0002066 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP111 |
IUPAC Name | 1-methyl-3-(quinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C15H12N6 |
Mass | 276.296 |
Exact Mass | 276.1123444 |
Composition | C (65.21%), H (4.38%), N (30.42%) |
Atom Count | 33 |
PI | 13.16 |
Smiles | n1cnc2c(c1N)c(nn2C)c1cc2c(cc1)nccc2 |
InChI | 1S/C15H12N6/c1-21-15-12(14(16)18-8-19-15)13(20-21)10-4-5-11-9(7-10)3-2-6-17-11/h2-8H,1H3,(H2,16,18,1
9) |
InChIKey | UGUJFPIEAZXKAK-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 |
24905204
|
Drug Bank Link | DB08054 |
ChemSpider Link | 24605255 |
ChEMBL Link | CHEMBL1242756 |