Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003944
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7 compound
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
FormulaC22H24ClFN4O3
Mass446.902
Exact Mass446.1520966
Composition C (59.13%), H (5.41%), Cl (7.93%), F (4.25%), N (12.54%), O (10.74%)
Atom Count55
PI10.28
Smilesc12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCCN1CCOCC1
InChI1S/C22H24ClFN4O3/c1-29-20-12-16-19(13-21(20)31-8-2-5-28-6-9-30-10-7-28)25-14-26-22(16)27-18-4-3-15(2
3)11-17(18)24/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKeyJNAHSSCHKKAPHI-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 5329020
Drug Bank Link -
ChemSpider Link 4486182
ChEMBL Link CHEMBL24137
 
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