Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005015
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article14
IUPAC Name6,8-dimethoxy-2-[3-(piperidine-1-carbonyl)phenyl]isoquinolin-1-one
FormulaC23H24N2O4
Mass392.4477
Exact Mass392.173607266
Composition C (70.39%), H (6.16%), N (7.14%), O (16.31%)
Atom Count53
PI-
SmilesCOC1=CC(=C2C(=C1)C=CN(C2=O)C3=CC=CC(=C3)C(=O)N4CCCCC4)OC
InChI1S/C23H24N2O4/c1-28-19-14-16-9-12-25(23(27)21(16)20(15-19)29-2)18-8-6-7-17(13-18)22(26)24-10-4-3-5-1
1-24/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyJAGUKLMIBWSNES-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
Reference24094432
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 72697580
Drug Bank Link -
ChemSpider Link 28646778
ChEMBL Link CHEMBL2148048
 
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