Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004675
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article28
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[3-(1H-imidazol-1-yl)propoxy]-7-methoxyquinazolin-4-amine
FormulaC21H19ClFN5O2
Mass427.859
Exact Mass427.1211308
Composition C (58.95%), H (4.48%), Cl (8.29%), F (4.44%), N (16.37%), O (7.48%)
Atom Count49
PI11.46
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCn1ccnc1
InChI1S/C21H19ClFN5O2/c1-29-19-11-18-15(10-20(19)30-8-2-6-28-7-5-24-13-28)21(26-12-25-18)27-14-3-4-17(23)
16(22)9-14/h3-5,7,9-13H,2,6,8H2,1H3,(H,25,26,27)
InChIKeyMEDBJFRRWZWOFV-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 19077509
Drug Bank Link -
ChemSpider Link 13940740
ChEMBL Link CHEMBL55424
 
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