Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001127
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article32 compound
IUPAC NameN-[3-chloro-4-(4-chlorophenoxy)phenyl]-6-methoxy-2-methylquinolin-4-amine
FormulaC23H18Cl2N2O2
Mass425.307
Exact Mass424.0745332
Composition C (64.95%), H (4.27%), Cl (16.67%), N (6.59%), O (7.52%)
Atom Count47
PI13.81
Smilesc1(ccc2c(c1)c(cc(n2)C)Nc1ccc(c(c1)Cl)Oc1ccc(cc1)Cl)OC
InChI1S/C23H18Cl2N2O2/c1-14-11-22(19-13-18(28-2)8-9-21(19)26-14)27-16-5-10-23(20(25)12-16)29-17-6-3-15(24
)4-7-17/h3-13H,1-2H3,(H,26,27)
InChIKeyNUGRITYIZUXWRQ-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
Reference18500794
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 1885106
Drug Bank Link -
ChemSpider Link 1454736
ChEMBL Link CHEMBL488757
 
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