Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004661
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article35
IUPAC Name(2E)-3-(4-bromophenyl)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}prop-2-enamide
FormulaC23H16BrClN4O
Mass479.756
Exact Mass478.0196015
Composition C (57.58%), H (3.36%), Br (16.66%), Cl (7.39%), N (11.68%), O (3.33%)
Atom Count46
PI9.11
Smilesc1(ccc(cc1)Br)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl
InChI1S/C23H16BrClN4O/c24-16-7-4-15(5-8-16)6-11-22(30)28-19-9-10-21-20(13-19)23(27-14-26-21)29-18-3-1-2-1
7(25)12-18/h1-14H,(H,28,30)(H,26,27,29)/b11-6+
InChIKeyMVMLCLYEVJGFBY-IZZDOVSWSA-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
Reference21763148
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 56673177
Drug Bank Link -
ChemSpider Link 26630325
ChEMBL Link CHEMBL1812564
 
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