General Property |
Molceule ID (DB) | EGIN0002152 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP306 |
IUPAC Name | 2-[4-amino-3-(3-ethoxy-4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethan-1-ol |
Formula | C16H19N5O3 |
Mass | 329.3538 |
Exact Mass | 329.1487895 |
Composition | C (58.35%), H (5.81%), N (21.26%), O (14.57%) |
Atom Count | 43 |
PI | 10.99 |
Smiles | n1cnc2c(c1N)c(nn2CCO)c1cc(c(cc1)OC)OCC |
InChI | 1S/C16H19N5O3/c1-3-24-12-8-10(4-5-11(12)23-2)14-13-15(17)18-9-19-16(13)21(20-14)6-7-22/h4-5,8-9,22H,
3,6-7H2,1-2H3,(H2,17,18,19) |
InChIKey | KIWLNXLVLDAZRB-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 |
52940797
|
Drug Bank Link | - |
ChemSpider Link | 26349750 |
ChEMBL Link | CHEMBL1242753 |