Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004314
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-phenoxyacetamide
FormulaC22H17BrN4O2
Mass449.3
Exact Mass448.0534885
Composition C (58.81%), H (3.81%), Br (17.78%), N (12.47%), O (7.12%)
Atom Count46
PI8.21
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)COc1ccccc1
InChI1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-
3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
InChIKeyKAVYNTVJFQWLDL-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
Reference20151670
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 24655198
ChEMBL Link CHEMBL604914
 
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