Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000858
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article21 compound
IUPAC Name4-[(3-hydroxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC18H15N3O3
Mass321.33
Exact Mass321.1113414
Composition C (67.28%), H (4.71%), N (13.08%), O (14.94%)
Atom Count39
PI6.55
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)O)C#N
InChI1S/C18H15N3O3/c1-23-16-7-14-15(8-17(16)24-2)20-10-11(9-19)18(14)21-12-4-3-5-13(22)6-12/h3-8,10,22H,1
-2H3,(H,20,21)
InChIKeyIKUBPVIBISSEJV-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 5328853
Drug Bank Link -
ChemSpider Link 4486015
ChEMBL Link CHEMBL110577
 
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