General Property |
Molceule ID (DB) | EGIN0002118 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP136 |
IUPAC Name | 1-cyclopentyl-3-(1-methyl-1H-indol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C19H20N6 |
Mass | 332.4023 |
Exact Mass | 332.1749447 |
Composition | C (68.65%), H (6.06%), N (25.28%) |
Atom Count | 45 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)n(cc2)C |
InChI | 1S/C19H20N6/c1-24-9-8-12-10-13(6-7-15(12)24)17-16-18(20)21-11-22-19(16)25(23-17)14-4-2-3-5-14/h6-11,
14H,2-5H2,1H3,(H2,20,21,22) |
InChIKey | LQIVXZFCXIBJSU-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 |
24905222
|
Drug Bank Link | - |
ChemSpider Link | 24605237 |
ChEMBL Link | CHEMBL1242385 |