Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004062
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article17a compound
IUPAC NameN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
FormulaC16H14FN3O2
Mass299.2997
Exact Mass299.1070049
Composition C (64.21%), H (4.71%), F (6.35%), N (14.04%), O (10.69%)
Atom Count36
PI9.21
Smilesc12c(Nc3c(F)cccc3)ncnc1cc(c(c2)OC)OC
InChI1S/C16H14FN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,
19,20)
InChIKeyMBQWMGKHDDVEPF-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
Reference16279804
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 5329005
Drug Bank Link DB05294
ChemSpider Link 4486167
ChEMBL Link CHEMBL150581
 
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