Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000468
Inhibitor ClassPhenyl-urea
Molecule Name in Refrence Article1a compound
IUPAC Name3-[(3-chloro-2-hydroxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-phenylurea
FormulaC21H18ClFN2O2
Mass384.831
Exact Mass384.1040837
Composition C (65.54%), H (4.71%), Cl (9.21%), F (4.94%), N (7.28%), O (8.32%)
Atom Count45
PI2.12
Smilesc1(cccc(c1O)Cl)CN(C(=O)Nc1ccccc1)Cc1ccc(cc1)F
InChI1S/C21H18ClFN2O2/c22-19-8-4-5-16(20(19)26)14-25(13-15-9-11-17(23)12-10-15)21(27)24-18-6-2-1-3-7-18/h
1-12,26H,13-14H2,(H,24,27)
InChIKeyLEJHECNHNIKBPL-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
Reference19914837
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24644159
ChEMBL Link CHEMBL592426
 
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