Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000590
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-[(1-ethylpiperidin-4-yl)oxy]-7-methoxyquinazolin-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
PI11.98
Smilesc12c(cc(cc1OC1CCN(CC1)CC)OC)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C22H24ClFN4O2/c1-3-28-8-6-15(7-9-28)30-20-12-16(29-2)11-19-21(20)22(26-13-25-19)27-14-4-5-18(24)1
7(23)10-14/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,25,26,27)
InChIKeyYQVIWENUKGWMED-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
Reference16380259
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23268068
ChEMBL Link CHEMBL204105
 
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