Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000866
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article29 compound
IUPAC Name4-[(3-chloro-4-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC19H16ClN3O2
Mass353.802
Exact Mass353.0931045
Composition C (64.5%), H (4.56%), Cl (10.02%), N (11.88%), O (9.04%)
Atom Count41
PI10.96
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(c(c1)Cl)C)C#N
InChI1S/C19H16ClN3O2/c1-11-4-5-13(6-15(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)
InChIKeyOSNTXNDDUYHOPC-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 5328861
Drug Bank Link -
ChemSpider Link 4486023
ChEMBL Link CHEMBL109355
 
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