General Property |
Molceule ID (DB) | EGIN0002203 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP496 |
IUPAC Name | (2R)-3-[4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol |
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 | 11.01 |
Smiles | n1cnc2c(c1N)c(nn2C[C@@H](C)CO)c1cc(c(cc1)OC)OC |
InChI | 1S/C17H21N5O3/c1-10(8-23)7-22-17-14(16(18)19-9-20-17)15(21-22)11-4-5-12(24-2)13(6-11)25-3/h4-6,9-10,
23H,7-8H2,1-3H3,(H2,18,19,20)/t10-/m1/s1 |
InChIKey | ORVLOIUKTHUQPU-SNVBAGLBSA-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 |
24905334
|
Drug Bank Link | - |
ChemSpider Link | 24605124 |
ChEMBL Link | CHEMBL1242381 |