Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004747
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article21
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[2-(1H-imidazol-1-yl)ethoxy]-7-methoxyquinazolin-4-amine
FormulaC20H17ClFN5O2
Mass413.833
Exact Mass413.1054807
Composition C (58.05%), H (4.14%), Cl (8.57%), F (4.59%), N (16.92%), O (7.73%)
Atom Count46
PI11.45
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCn1ccnc1
InChI1S/C20H17ClFN5O2/c1-28-18-10-17-14(9-19(18)29-7-6-27-5-4-23-12-27)20(25-11-24-17)26-13-2-3-16(22)15(
21)8-13/h2-5,8-12H,6-7H2,1H3,(H,24,25,26)
InChIKeyXXBDUYQPZRPNMB-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
Reference22867529 | 11459659 |
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 19077506
Drug Bank Link -
ChemSpider Link 13940736
ChEMBL Link CHEMBL294034
 
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