Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000482
Inhibitor ClassPhenyl-urea
Molecule Name in Refrence Article15a compound
IUPAC Name3-butyl-3-[(2-hydroxy-3-methylphenyl)methyl]-1-phenylurea
FormulaC19H24N2O2
Mass312.4061
Exact Mass312.183778
Composition C (73.05%), H (7.74%), N (8.97%), O (10.24%)
Atom Count47
PI3.39
Smilesc1(cccc(c1O)C)CN(C(=O)Nc1ccccc1)CCCC
InChI1S/C19H24N2O2/c1-3-4-13-21(14-16-10-8-9-15(2)18(16)22)19(23)20-17-11-6-5-7-12-17/h5-12,22H,3-4,13-14
H2,1-2H3,(H,20,23)
InChIKeyUEBGIRYMJKQKHD-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 24645880
ChEMBL Link CHEMBL591707
 
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