Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000771
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article68 compound
IUPAC NameN-(3,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
FormulaC16H13Br2N3O2
Mass439.101
Exact Mass436.937452
Composition C (43.76%), H (2.98%), Br (36.39%), N (9.57%), O (7.29%)
Atom Count36
PI10.25
Smilesc12c(cc(c(c1)OC)OC)ncnc2Nc1cc(c(cc1)Br)Br
InChI1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3,(H
,19,20,21)
InChIKeyRCDYQKFTBRQJIS-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 5328231
Drug Bank Link -
ChemSpider Link 4485396
ChEMBL Link CHEMBL327307
 
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