Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003245
Inhibitor ClassPyridinyl-oxazole
Molecule Name in Refrence Article11 compound
IUPAC Name4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1,3-oxazol-2-yl]-1-methylpiperidin-4-ol
FormulaC20H20FN3O2
Mass353.3901
Exact Mass353.1539551
Composition C (67.97%), H (5.7%), F (5.38%), N (11.89%), O (9.05%)
Atom Count46
PI10.32
Smileso1c(c(nc1C1(CCN(CC1)C)O)c1ccc(cc1)F)c1ccncc1
InChI1S/C20H20FN3O2/c1-24-12-8-20(25,9-13-24)19-23-17(14-2-4-16(21)5-3-14)18(26-19)15-6-10-22-11-7-15/h2-
7,10-11,25H,8-9,12-13H2,1H3
InChIKeyOLWWIAFRNOFHTL-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference10866395
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesERK2 | JNK1 | p38 delta | MKK6b | c-Src | p38 beta 2 | PKC alpha | JNK2 | c-Abl | ALL
Pub Chem Link 9819930
Drug Bank Link -
ChemSpider Link 7995679
ChEMBL Link CHEMBL22978
 
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