General Property |
Molceule ID (DB) | EGIN0002120 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP138 |
IUPAC Name | 1-cyclopentyl-3-(1H-indazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C17H17N7 |
Mass | 319.3638 |
Exact Mass | 319.1545436 |
Composition | C (63.93%), H (5.37%), N (30.7%) |
Atom Count | 41 |
PI | 9.86 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)[nH]nc2 |
InChI | 1S/C17H17N7/c18-16-14-15(10-5-6-13-11(7-10)8-21-22-13)23-24(12-3-1-2-4-12)17(14)20-9-19-16/h5-9,12H,
1-4H2,(H,21,22)(H2,18,19,20) |
InChIKey | XOKCNIACFBBJGV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002120.png) | Structure Backbone | ![](./frame/f_EGIN0002120.png) |
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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 |
24905224
|
Drug Bank Link | - |
ChemSpider Link | 24605235 |
ChEMBL Link | CHEMBL1242475 |