General Property |
Molceule ID (DB) | EGIN0002206 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP53 |
IUPAC Name | 1-(propan-2-yl)-3-(pyrimidin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C12H13N7 |
Mass | 255.2785 |
Exact Mass | 255.1232435 |
Composition | C (56.46%), H (5.13%), N (38.41%) |
Atom Count | 32 |
PI | 13.1 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cncnc1 |
InChI | 1S/C12H13N7/c1-7(2)19-12-9(11(13)16-6-17-12)10(18-19)8-3-14-5-15-4-8/h3-7H,1-2H3,(H2,13,16,17) |
InChIKey | UAKWDILRCZKWFX-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 |
24905171
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Drug Bank Link | - |
ChemSpider Link | 24605290 |
ChEMBL Link | CHEMBL1241391 |