Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004713
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article21
IUPAC NameN-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(morpholin-4-yl)propanamide
FormulaC31H31ClN6O4
Mass587.069
Exact Mass586.2095312
Composition C (63.42%), H (5.32%), Cl (6.04%), N (14.32%), O (10.9%)
Atom Count73
PI9.59
Smilesc1c(c(cc2c1c(c(cn2)C#N)Nc1ccc(c(c1)Cl)OCc1ccccn1)OCC)NC(=O)CCN1CCOCC1
InChI1S/C31H31ClN6O4/c1-2-41-29-17-26-24(16-27(29)37-30(39)8-10-38-11-13-40-14-12-38)31(21(18-33)19-35-26
)36-22-6-7-28(25(32)15-22)42-20-23-5-3-4-9-34-23/h3-7,9,15-17,19H,2,8,10-14,20H2,1H3,(H,35,36)(H,37,
39)
InChIKeyCYRAGAWSGXXYDS-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
Reference22280453
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 -
Drug Bank Link -
ChemSpider Link 28506584
ChEMBL Link -
 
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