Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001282
Inhibitor ClassNaphthyridine
Molecule Name in Refrence Article28 compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]-3-cyano-1,7-naphthyridin-6-yl}-4-(dimethylamino)but-2-enamide
FormulaC21H19BrN6O
Mass451.319
Exact Mass450.0803719
Composition C (55.89%), H (4.24%), Br (17.7%), N (18.62%), O (3.55%)
Atom Count48
PI10.5
Smilesc12c(cnc(c1)NC(=O)/C=C/CN(C)C)ncc(c2Nc1cc(ccc1)Br)C#N
InChI1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-
16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+
InChIKeyMFFPMIGCSMORHY-QPJJXVBHSA-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
Reference15006373
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 9981239
Drug Bank Link -
ChemSpider Link 8156831
ChEMBL Link CHEMBL31276
 
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