General Property |
Molceule ID (DB) | EGIN0003220 |
Inhibitor Class | Pyrimidinyl-imidazole |
Molecule Name in Refrence Article | SB-242235 |
IUPAC Name | 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-methoxypyrimidine |
Formula | C19H20FN5O |
Mass | 353.3934 |
Exact Mass | 353.1651885 |
Composition | C (64.57%), H (5.7%), F (5.38%), N (19.82%), O (4.53%) |
Atom Count | 46 |
PI | No isoelectric point. |
Smiles | c1nc(c(n1C1CCNCC1)c1nc(ncc1)OC)c1ccc(cc1)F |
InChI | 1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5
,8,11-12,15,21H,6-7,9-10H2,1H3 |
InChIKey | PDTYLGXVBIWRIM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003220.png) | Structure Backbone | ![](./frame/f_EGIN0003220.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 | 11597418 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | cdc2 | c-Raf | EGFR | ERK2 | JNK1 | JNK2b2 | P38a | p56 | PKC alpha | PKC beta 2 | ALL |
Pub Chem Link |
9863367
|
Drug Bank Link | - |
ChemSpider Link | 8039063 |
ChEMBL Link | CHEMBL95692 |