General Property |
Molceule ID (DB) | EGIN0002198 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP489 |
IUPAC Name | 5-{4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-bromophenol |
Formula | C12H10BrN5O |
Mass | 320.145 |
Exact Mass | 319.0068726 |
Composition | C (45.02%), H (3.15%), Br (24.96%), N (21.88%), O (5%) |
Atom Count | 29 |
PI | 7.13 |
Smiles | n1cnc2c(c1N)c(nn2C)c1cc(c(cc1)Br)O |
InChI | 1S/C12H10BrN5O/c1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6/h2-5,19H,1H3,(H2,14,15,16) |
InChIKey | MFRGGAROFRXKRT-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 |
24905331
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Drug Bank Link | - |
ChemSpider Link | 24605127 |
ChEMBL Link | CHEMBL1241299 |