General Property |
Molceule ID (DB) | EGIN0002095 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP94 |
IUPAC Name | 1-cyclopentyl-3-(1H-indol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C18H18N6 |
Mass | 318.3757 |
Exact Mass | 318.1592946 |
Composition | C (67.9%), H (5.7%), N (26.4%) |
Atom Count | 42 |
PI | 11.27 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)[nH]cc2 |
InChI | 1S/C18H18N6/c19-17-15-16(12-5-6-14-11(9-12)7-8-20-14)23-24(13-3-1-2-4-13)18(15)22-10-21-17/h5-10,13,
20H,1-4H2,(H2,19,21,22) |
InChIKey | MRCFTWAYZAHAFA-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 |
24905193
|
Drug Bank Link | - |
ChemSpider Link | 24605267 |
ChEMBL Link | CHEMBL1242295 |