Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001777
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article7 compound
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-[3-(morpholin-4-yl)propoxy]quinolin-6-yl}prop-2-enamide
FormulaC26H25ClFN5O3
Mass509.96
Exact Mass509.1629956
Composition C (61.24%), H (4.94%), Cl (6.95%), F (3.73%), N (13.73%), O (9.41%)
Atom Count61
PI9.74
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)C=C)OCCCN1CCOCC1)Nc1cc(c(cc1)F)Cl
InChI1S/C26H25ClFN5O3/c1-2-25(34)32-23-13-19-22(14-24(23)36-9-3-6-33-7-10-35-11-8-33)30-16-17(15-29)26(19
)31-18-4-5-21(28)20(27)12-18/h2,4-5,12-14,16H,1,3,6-11H2,(H,30,31)(H,32,34)
InChIKeyFODAAEGGNDJNFL-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
Reference12270171
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10006530
Drug Bank Link -
ChemSpider Link 8182110
ChEMBL Link CHEMBL95774
 
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