Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004343
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article4b compound
IUPAC NameN-(3-ethynylphenyl)-6,7-dimethoxyquinolin-4-amine
FormulaC19H16N2O2
Mass304.3425
Exact Mass304.1211778
Composition C (74.98%), H (5.3%), N (9.2%), O (10.51%)
Atom Count39
PI13.57
Smilesc1(c(cc2c(c1)c(ccn2)Nc1cc(ccc1)C#C)OC)OC
InChI1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(
H,20,21)
InChIKeyWMAOMQUWVSXRPR-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 24670715
ChEMBL Link CHEMBL1092250
 
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