Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002613
Inhibitor ClassHydroxybiphenyl
Molecule Name in Refrence Article13 compound
IUPAC Name(2R)-2,4,4-trimethylpentyl 4-[2-(methoxymethoxy)-4-phenylphenyl]benzoate
FormulaC29H34O4
Mass446.5779
Exact Mass446.2457096
Composition C (78%), H (7.67%), O (14.33%)
Atom Count67
PINo isoelectric point.
Smilesc1cccc(c1)c1ccc(c(c1)OCOC)c1ccc(cc1)C(=O)OC[C@H](C)CC(C)(C)C
InChI1S/C29H34O4/c1-21(18-29(2,3)4)19-32-28(30)24-13-11-23(12-14-24)26-16-15-25(17-27(26)33-20-31-5)22-9-
7-6-8-10-22/h6-17,21H,18-20H2,1-5H3/t21-/m1/s1
InChIKeyNRDZJCPQCVQANM-OAQYLSRUSA-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 9972314
ChEMBL Link CHEMBL141705
 
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