Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002605
Inhibitor ClassHydroxybiphenyl
Molecule Name in Refrence Article3 compound
IUPAC Namemethyl 4-(4-tert-butylphenyl)-3-(methoxymethoxy)benzoate
FormulaC20H24O4
Mass328.4022
Exact Mass328.1674593
Composition C (73.15%), H (7.37%), O (19.49%)
Atom Count48
PINo isoelectric point.
SmilesCOCOc1c(ccc(c1)C(=O)OC)c1ccc(cc1)C(C)(C)C
InChI1S/C20H24O4/c1-20(2,3)16-9-6-14(7-10-16)17-11-8-15(19(21)23-5)12-18(17)24-13-22-4/h6-12H,13H2,1-5H3
InChIKeyCUQMPAIPIDGOGD-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
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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 -
ChEMBL Link CHEMBL142898
 
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