Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004474
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article5b compound
IUPAC Name4-[({4-[(3-bromophenyl)amino]quinazolin-6-yl}amino)methyl]phenol
FormulaC21H17BrN4O
Mass421.29
Exact Mass420.0585738
Composition C (59.87%), H (4.07%), Br (18.97%), N (13.3%), O (3.8%)
Atom Count44
PI6.98
Smilesn1cnc(c2c1ccc(c2)NCc1ccc(cc1)O)Nc1cc(ccc1)Br
InChI1S/C21H17BrN4O/c22-15-2-1-3-17(10-15)26-21-19-11-16(6-9-20(19)24-13-25-21)23-12-14-4-7-18(27)8-5-14/
h1-11,13,23,27H,12H2,(H,24,25,26)
InChIKeyHWFVSJRQDJIDSV-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
Reference22112541
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 56837416
Drug Bank Link -
ChemSpider Link 28431081
ChEMBL Link CHEMBL1928708
 
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