Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004733
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[2-(dimethylamino)ethoxy]-7-methoxyquinazolin-4-amine
FormulaC19H20ClFN4O2
Mass390.839
Exact Mass390.1258818
Composition C (58.39%), H (5.16%), Cl (9.07%), F (4.86%), N (14.34%), O (8.19%)
Atom Count47
PI12.39
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN(C)C
InChI1S/C19H20ClFN4O2/c1-25(2)6-7-27-18-9-13-16(10-17(18)26-3)22-11-23-19(13)24-12-4-5-15(21)14(20)8-12/h
4-5,8-11H,6-7H2,1-3H3,(H,22,23,24)
InChIKeyCBVZLUIKUXDQLU-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 19077501
Drug Bank Link -
ChemSpider Link 13940731
ChEMBL Link CHEMBL57759
 
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