Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002626
Inhibitor ClassHydroxybiphenyl
Molecule Name in Refrence Article30 compound
IUPAC Name4-(3-tert-butyl-5-hydroxyphenyl)benzoic acid
FormulaC17H18O3
Mass270.323
Exact Mass270.1255944
Composition C (75.53%), H (6.71%), O (17.76%)
Atom Count38
PINo isoelectric point.
SmilesCC(C)(C)c1cc(cc(O)c1)c1ccc(cc1)C(=O)O
InChI1S/C17H18O3/c1-17(2,3)14-8-13(9-15(18)10-14)11-4-6-12(7-5-11)16(19)20/h4-10,18H,1-3H3,(H,19,20)
InChIKeyQDGQQGJWBKYSPU-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 10683468
Drug Bank Link -
ChemSpider Link 8858814
ChEMBL Link CHEMBL142420
 
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