Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000772
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article69 compound
IUPAC NameN-(3,5-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
PI10.12
Smilesc12c(cc(c(c1)OC)OC)ncnc2Nc1cc(cc(c1)Br)Br
InChI1S/C16H13Br2N3O2/c1-22-14-6-12-13(7-15(14)23-2)19-8-20-16(12)21-11-4-9(17)3-10(18)5-11/h3-8H,1-2H3,(
H,19,20,21)
InChIKeyHAHWLTAMVXUGEZ-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 5328232
Drug Bank Link -
ChemSpider Link 4485397
ChEMBL Link CHEMBL92709
 
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