Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000881
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article51 compound
IUPAC Name{4-[(3-bromophenyl)amino]-6,7-dimethoxyquinolin-3-yl}methanol
FormulaC18H17BrN2O3
Mass389.243
Exact Mass388.0422551
Composition C (55.54%), H (4.4%), Br (20.53%), N (7.2%), O (12.33%)
Atom Count41
PI11.1
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)Br)CO
InChI1S/C18H17BrN2O3/c1-23-16-7-14-15(8-17(16)24-2)20-9-11(10-22)18(14)21-13-5-3-4-12(19)6-13/h3-9,22H,10
H2,1-2H3,(H,20,21)
InChIKeyNMNOCAWQEQWSTF-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
Reference10966743
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 5328876
Drug Bank Link -
ChemSpider Link 4486038
ChEMBL Link CHEMBL439596
 
TOP