Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001123
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article28 compound
IUPAC NameN-[4-(2-phenoxyethoxy)phenyl]benzo[g]quinolin-4-amine
FormulaC27H22N2O2
Mass406.4758
Exact Mass406.168128
Composition C (79.78%), H (5.46%), N (6.89%), O (7.87%)
Atom Count53
PI13.56
Smilesc12c(cccc1)cc1c(c2)c(ccn1)Nc1ccc(cc1)OCCOc1ccccc1
InChI1S/C27H22N2O2/c1-2-8-23(9-3-1)30-16-17-31-24-12-10-22(11-13-24)29-26-14-15-28-27-19-21-7-5-4-6-20(21
)18-25(26)27/h1-15,18-19H,16-17H2,(H,28,29)
InChIKeyNSCLEKFKAKFKGX-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
Reference18500794
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 1718804
Drug Bank Link -
ChemSpider Link 1365704
ChEMBL Link CHEMBL486081
 
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