Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000481
Inhibitor ClassPhenyl-urea
Molecule Name in Refrence Article14a compound
IUPAC Name3-[(3-bromo-2-hydroxyphenyl)methyl]-3-butyl-1-phenylurea
FormulaC18H21BrN2O2
Mass377.276
Exact Mass376.0786406
Composition C (57.3%), H (5.61%), Br (21.18%), N (7.43%), O (8.48%)
Atom Count44
PI2.51
Smilesc1(cccc(c1O)Br)CN(C(=O)Nc1ccccc1)CCCC
InChI1S/C18H21BrN2O2/c1-2-3-12-21(13-14-8-7-11-16(19)17(14)22)18(23)20-15-9-5-4-6-10-15/h4-11,22H,2-3,12-
13H2,1H3,(H,20,23)
InChIKeyPAZHTUBWGGMCLX-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24644252
ChEMBL Link CHEMBL590962
 
TOP