Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000580
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article7a compound
IUPAC NameN-(2,4-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
FormulaC18H16Cl2N2O
Mass347.238
Exact Mass346.0639686
Composition C (62.26%), H (4.64%), Cl (20.42%), N (8.07%), O (4.61%)
Atom Count39
PI12.87
Smilesc12c(ccc(c1)OCC)nc(cc2Nc1c(cc(cc1)Cl)Cl)C
InChI1S/C18H16Cl2N2O/c1-3-23-13-5-7-16-14(10-13)18(8-11(2)21-16)22-17-6-4-12(19)9-15(17)20/h4-10H,3H2,1-2
H3,(H,21,22)
InChIKeyHYLSMTQFXZQVOE-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
Reference18678492
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 -
Drug Bank Link -
ChemSpider Link 24708227
ChEMBL Link CHEMBL497848
 
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