Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000399
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article41 compound
IUPAC Name(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(morpholin-4-yl)but-2-enamide
FormulaC25H23ClFN5O3
Mass495.933
Exact Mass495.1473455
Composition C (60.55%), H (4.67%), Cl (7.15%), F (3.83%), N (14.12%), O (9.68%)
Atom Count58
PI9.46
Smilesc12c(cc(c(c1)NC(=O)/C=C/CN1CCOCC1)OC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N
InChI1S/C25H23ClFN5O3/c1-34-23-13-21-18(12-22(23)31-24(33)3-2-6-32-7-9-35-10-8-32)25(16(14-28)15-29-21)30
-17-4-5-20(27)19(26)11-17/h2-5,11-13,15H,6-10H2,1H3,(H,29,30)(H,31,33)/b3-2+
InChIKeyRAKHHLWOXRVOCS-NSCUHMNNSA-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
Reference12502359
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 9891993
Drug Bank Link -
ChemSpider Link 8067663
ChEMBL Link CHEMBL113996
 
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