Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000862
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article25 compound
IUPAC Name4-[(3-chloro-4-hydroxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC18H14ClN3O3
Mass355.775
Exact Mass355.072369
Composition C (60.77%), H (3.97%), Cl (9.97%), N (11.81%), O (13.49%)
Atom Count39
PI6.46
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(c(c1)Cl)O)C#N
InChI1S/C18H14ClN3O3/c1-24-16-6-12-14(7-17(16)25-2)21-9-10(8-20)18(12)22-11-3-4-15(23)13(19)5-11/h3-7,9,2
3H,1-2H3,(H,21,22)
InChIKeyDUDXBCAIXIMAKI-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 5328857
Drug Bank Link -
ChemSpider Link 4486019
ChEMBL Link CHEMBL110945
 
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