Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002628
Inhibitor ClassHydroxybiphenyl
Molecule Name in Refrence Article32 compound
IUPAC Namemethyl 4-(3-tert-butyl-5-hydroxyphenyl)benzoate
FormulaC18H20O3
Mass284.3496
Exact Mass284.1412445
Composition C (76.03%), H (7.09%), O (16.88%)
Atom Count41
PINo isoelectric point.
SmilesCOC(=O)c1ccc(cc1)c1cc(O)cc(c1)C(C)(C)C
InChI1S/C18H20O3/c1-18(2,3)15-9-14(10-16(19)11-15)12-5-7-13(8-6-12)17(20)21-4/h5-11,19H,1-4H3
InChIKeyNQKNYWRKCVDWQI-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
Reference7473597
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 10850623
Drug Bank Link -
ChemSpider Link 9025917
ChEMBL Link CHEMBL142611
 
TOP