Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003950
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-{2-[methyl(pyridin-4-yl)amino]ethoxy}quinazolin-4-amine
FormulaC23H21ClFN5O2
Mass453.897
Exact Mass453.1367809
Composition C (60.86%), H (4.66%), Cl (7.81%), F (4.19%), N (15.43%), O (7.05%)
Atom Count53
PI11.22
Smilesc12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCN(c1ccncc1)C
InChI1S/C23H21ClFN5O2/c1-30(16-5-7-26-8-6-16)9-10-32-22-13-20-17(12-21(22)31-2)23(28-14-27-20)29-19-4-3-1
5(24)11-18(19)25/h3-8,11-14H,9-10H2,1-2H3,(H,27,28,29)
InChIKeyHTZZYCNEQVCJJB-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 5329026
Drug Bank Link -
ChemSpider Link 4486188
ChEMBL Link CHEMBL25579
 
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