Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003353
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article25q compound
IUPAC Name(2E)-N-(4-{[3-chloro-4-(furan-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
FormulaC29H28ClN5O4
Mass546.017
Exact Mass545.1829821
Composition C (63.79%), H (5.17%), Cl (6.49%), N (12.83%), O (11.72%)
Atom Count67
PI10.67
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2occc2)cc1)Cl
InChI1S/C29H28ClN5O4/c1-4-37-27-15-24-22(14-25(27)34-28(36)8-5-11-35(2)3)29(19(16-31)17-32-24)33-20-9-10-
26(23(30)13-20)39-18-21-7-6-12-38-21/h5-10,12-15,17H,4,11,18H2,1-3H3,(H,32,33)(H,34,36)/b8-5+
InChIKeyRDZCSFHYEHBJON-VMPITWQZSA-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
Reference15715478
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 11249776
Drug Bank Link -
ChemSpider Link 9424809
ChEMBL Link CHEMBL176199
 
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