Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000762
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article59 compound
IUPAC NameN-(3-bromophenyl)-5,6-dimethoxyquinazolin-4-amine
FormulaC16H14BrN3O2
Mass360.205
Exact Mass359.0269394
Composition C (53.35%), H (3.92%), Br (22.18%), N (11.67%), O (8.88%)
Atom Count36
PI10.05
Smilesc12c(ccc(c1OC)OC)ncnc2Nc1cccc(c1)Br
InChI1S/C16H14BrN3O2/c1-21-13-7-6-12-14(15(13)22-2)16(19-9-18-12)20-11-5-3-4-10(17)8-11/h3-9H,1-2H3,(H,18
,19,20)
InChIKeyYNRSJGOUWDDUMY-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 | 8632415 |
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 5328223
Drug Bank Link -
ChemSpider Link 4485388
ChEMBL Link CHEMBL96627
 
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