General Property |
Molceule ID (DB) | EGIN0002213 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP64 |
IUPAC Name | 1-(propan-2-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C17H21N5O3 |
Mass | 343.3803 |
Exact Mass | 343.1644396 |
Composition | C (59.46%), H (6.16%), N (20.4%), O (13.98%) |
Atom Count | 46 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(c(c1)OC)OC)OC |
InChI | 1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H
3,(H2,18,19,20) |
InChIKey | LCQAIZAFSOZWRC-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 |
24905177
|
Drug Bank Link | - |
ChemSpider Link | 24605283 |
ChEMBL Link | CHEMBL1242660 |