Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004669
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article31
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-nitrophenyl)prop-2-enamide
FormulaC23H16BrN5O3
Mass490.309
Exact Mass489.0436521
Composition C (56.34%), H (3.29%), Br (16.3%), N (14.28%), O (9.79%)
Atom Count48
PI9.11
Smilesc1(ccccc1[N+](=O)[O-])/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br
InChI1S/C23H16BrN5O3/c24-16-5-3-6-17(12-16)28-23-19-13-18(9-10-20(19)25-14-26-23)27-22(30)11-8-15-4-1-2-7
-21(15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b11-8+
InChIKeyQKMIUXGTOIHPPR-DHZHZOJOSA-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 56659322
Drug Bank Link -
ChemSpider Link 26646196
ChEMBL Link CHEMBL1812560
 
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