Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000485
Inhibitor ClassPhenyl-urea
Molecule Name in Refrence Article18a compound
IUPAC Name3-butyl-3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-1-phenylurea
FormulaC20H26N2O2
Mass326.4326
Exact Mass326.1994281
Composition C (73.59%), H (8.03%), N (8.58%), O (9.8%)
Atom Count50
PI3.55
Smilesc1(cc(cc(c1O)C)C)CN(C(=O)Nc1ccccc1)CCCC
InChI1S/C20H26N2O2/c1-4-5-11-22(20(24)21-18-9-7-6-8-10-18)14-17-13-15(2)12-16(3)19(17)23/h6-10,12-13,23H,
4-5,11,14H2,1-3H3,(H,21,24)
InChIKeyWFLDRBAFYGEDNV-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 24645531
ChEMBL Link CHEMBL590997
 
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