Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000764
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article61 compound
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxy-2-methylquinazolin-4-amine
FormulaC17H16BrN3O2
Mass374.232
Exact Mass373.0425894
Composition C (54.56%), H (4.31%), Br (21.35%), N (11.23%), O (8.55%)
Atom Count39
PI10.88
Smilesc12c(cc(c(c1)OC)OC)nc(nc2Nc1cc(ccc1)Br)C
InChI1S/C17H16BrN3O2/c1-10-19-14-9-16(23-3)15(22-2)8-13(14)17(20-10)21-12-6-4-5-11(18)7-12/h4-9H,1-3H3,(H
,19,20,21)
InChIKeyYDJAVBPPDOYWGD-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
Reference8568816
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 5328225
Drug Bank Link -
ChemSpider Link 4485390
ChEMBL Link CHEMBL294769
 
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