Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000857
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article20 compound
IUPAC Name4-[(4-chloro-2-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC18H13ClFN3O2
Mass357.766
Exact Mass357.0680326
Composition C (60.43%), H (3.66%), Cl (9.91%), F (5.31%), N (11.75%), O (8.94%)
Atom Count38
PI9.56
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1c(cc(cc1)Cl)F)C#N
InChI1S/C18H13ClFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H
,1-2H3,(H,22,23)
InChIKeyAZGVCABJHURYHG-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 5328852
Drug Bank Link -
ChemSpider Link 4486014
ChEMBL Link CHEMBL111664
 
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