Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004341
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article4a compound
IUPAC NameN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinolin-4-amine
FormulaC23H24N2O4
Mass392.4477
Exact Mass392.1736073
Composition C (70.39%), H (6.16%), N (7.14%), O (16.31%)
Atom Count53
PI13.54
Smilesc1(c(cc2c(c1)c(ccn2)Nc1cc(ccc1)C#C)OCCOC)OCCOC
InChI1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-
2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)
InChIKeyZQYQKUIFZATHRG-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
Reference20222733
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 24667739
ChEMBL Link CHEMBL1089203
 
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