Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003964
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article28 compound
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(piperidin-4-yl)ethoxy]quinazolin-4-amine
FormulaC22H24BrFN4O2
Mass475.354
Exact Mass474.1066669
Composition C (55.59%), H (5.09%), Br (16.81%), F (4%), N (11.79%), O (6.73%)
Atom Count54
PI12.07
Smilesc12c(Nc3c(cc(cc3)Br)F)ncnc1cc(c(c2)OC)OCCC1CCNCC1
InChI1S/C22H24BrFN4O2/c1-29-20-11-16-19(12-21(20)30-9-6-14-4-7-25-8-5-14)26-13-27-22(16)28-18-3-2-15(23)1
0-17(18)24/h2-3,10-14,25H,4-9H2,1H3,(H,26,27,28)
InChIKeyZESRALQQFCOMOY-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
Reference11881999
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFlt1 | FGFR | KDR | ALL
Pub Chem Link 5329054
Drug Bank Link -
ChemSpider Link 4486216
ChEMBL Link CHEMBL26641
 
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