Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003945
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8 compound
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(morpholin-4-yl)ethoxy]quinazolin-4-amine
FormulaC21H22ClFN4O3
Mass432.876
Exact Mass432.1364465
Composition C (58.27%), H (5.12%), Cl (8.19%), F (4.39%), N (12.94%), O (11.09%)
Atom Count52
PI9.96
Smilesc12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCN1CCOCC1
InChI1S/C21H22ClFN4O3/c1-28-19-11-15-18(12-20(19)30-9-6-27-4-7-29-8-5-27)24-13-25-21(15)26-17-3-2-14(22)1
0-16(17)23/h2-3,10-13H,4-9H2,1H3,(H,24,25,26)
InChIKeyWOSBEBRTYHKLTR-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 5329019
Drug Bank Link -
ChemSpider Link 4486181
ChEMBL Link CHEMBL25610
 
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