Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003946
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article9 compound
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine
FormulaC22H24ClFN4O2
Mass430.903
Exact Mass430.1571819
Composition C (61.32%), H (5.61%), Cl (8.23%), F (4.41%), N (13%), O (7.43%)
Atom Count54
PI11.45
Smilesc12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCCN1CCCC1
InChI1S/C22H24ClFN4O2/c1-29-20-12-16-19(13-21(20)30-10-4-9-28-7-2-3-8-28)25-14-26-22(16)27-18-6-5-15(23)1
1-17(18)24/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26,27)
InChIKeyKQVFLNYZDGJFNM-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 | KDR | FGFR | ALL
Pub Chem Link 5329037
Drug Bank Link -
ChemSpider Link 4486199
ChEMBL Link CHEMBL24133
 
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