Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000859
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article22 compound
IUPAC Name6,7-dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
FormulaC19H17N3O2
Mass319.3572
Exact Mass319.1320768
Composition C (71.46%), H (5.37%), N (13.16%), O (10.02%)
Atom Count41
PI11.14
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(cc1)C)C#N
InChI1S/C19H17N3O2/c1-12-4-6-14(7-5-12)22-19-13(10-20)11-21-16-9-18(24-3)17(23-2)8-15(16)19/h4-9,11H,1-3H
3,(H,21,22)
InChIKeyJXLUYPNXIHHINO-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
Reference10966743
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 4486016
ChEMBL Link CHEMBL109476
 
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