Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004678
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article27
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
FormulaC20H22ClFN4O2
Mass404.866
Exact Mass404.1415319
Composition C (59.33%), H (5.48%), Cl (8.76%), F (4.69%), N (13.84%), O (7.9%)
Atom Count50
PI12.67
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCCN(C)C
InChI1S/C20H22ClFN4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-13-5-6-16(22)15(21)9-1
3/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25)
InChIKeyBQTOLZHBHCEHJX-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 19077498
Drug Bank Link -
ChemSpider Link 13940729
ChEMBL Link CHEMBL57990
 
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