Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000875
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article38 compound
IUPAC Name4-[(4-bromo-3-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC19H16BrN3O2
Mass398.253
Exact Mass397.0425894
Composition C (57.3%), H (4.05%), Br (20.06%), N (10.55%), O (8.03%)
Atom Count41
PI10.96
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cc(c(cc1)Br)C)C#N
InChI1S/C19H16BrN3O2/c1-11-6-13(4-5-15(11)20)23-19-12(9-21)10-22-16-8-18(25-3)17(24-2)7-14(16)19/h4-8,10H
,1-3H3,(H,22,23)
InChIKeyMXOPSZOIOVSYKI-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 5328870
Drug Bank Link -
ChemSpider Link 4486032
ChEMBL Link CHEMBL110055
 
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