Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000396
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article38 compound
IUPAC Name(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}-4-(morpholin-4-yl)but-2-enamide
FormulaC24H21ClFN5O2
Mass465.907
Exact Mass465.1367809
Composition C (61.87%), H (4.54%), Cl (7.61%), F (4.08%), N (15.03%), O (6.87%)
Atom Count54
PI10.46
Smilesc12c(ccc(c1)NC(=O)/C=C/CN1CCOCC1)ncc(c2Nc1ccc(c(c1)Cl)F)C#N
InChI1S/C24H21ClFN5O2/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7
-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+
InChIKeyUSKFPOBBUSZDCR-OWOJBTEDSA-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 10983483
Drug Bank Link -
ChemSpider Link 9158684
ChEMBL Link CHEMBL118000
 
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