Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004776
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13
IUPAC Name2-{[2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethyl](2-hydroxyethyl)amino}ethan-1-ol
FormulaC21H24ClFN4O4
Mass450.891
Exact Mass450.1470112
Composition C (55.94%), H (5.37%), Cl (7.86%), F (4.21%), N (12.43%), O (14.19%)
Atom Count55
PI11.62
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN(CCO)CCO
InChI1S/C21H24ClFN4O4/c1-30-19-12-18-15(11-20(19)31-9-6-27(4-7-28)5-8-29)21(25-13-24-18)26-14-2-3-17(23)1
6(22)10-14/h2-3,10-13,28-29H,4-9H2,1H3,(H,24,25,26)
InChIKeyOBECJVAODZZPOU-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
Reference11459659
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 23150726
ChEMBL Link CHEMBL56505
 
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