Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000768
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article65 compound
IUPAC NameN-(3-bromophenyl)-6,7,8-trimethoxyquinazolin-4-amine
FormulaC17H16BrN3O3
Mass390.231
Exact Mass389.037504
Composition C (52.32%), H (4.13%), Br (20.48%), N (10.77%), O (12.3%)
Atom Count40
PI9.85
Smilesc12c(c(c(c(c1)OC)OC)OC)ncnc2Nc1cc(ccc1)Br
InChI1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)19-9-20-17(12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3
,(H,19,20,21)
InChIKeyDKGDRWNQVLEBEV-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 5328229
Drug Bank Link -
ChemSpider Link 4485394
ChEMBL Link CHEMBL431811
 
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