General Property |
Molceule ID (DB) | EGIN0002084 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP391 |
IUPAC Name | 5-(4-amino-1-{2-[(3R)-piperidin-3-yl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol |
Formula | C18H21ClN6O |
Mass | 372.852 |
Exact Mass | 372.146537 |
Composition | C (57.98%), H (5.68%), Cl (9.51%), N (22.54%), O (4.29%) |
Atom Count | 47 |
PI | 10.49 |
Smiles | n1cnc2c(c1N)c(nn2CC[C@H]1CCCNC1)c1cc(c(cc1)Cl)O |
InChI | 1S/C18H21ClN6O/c19-13-4-3-12(8-14(13)26)16-15-17(20)22-10-23-18(15)25(24-16)7-5-11-2-1-6-21-9-11/h3-
4,8,10-11,21,26H,1-2,5-7,9H2,(H2,20,22,23)/t11-/m1/s1 |
InChIKey | TXZDVQGUIJKUMP-LLVKDONJSA-N |
2D Structure | ![](./image/EGIN0002084.png) | Structure Backbone | ![](./frame/f_EGIN0002084.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 |
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Drug Bank Link | - |
ChemSpider Link | 26352785 |
ChEMBL Link | CHEMBL1241943 |