Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000387
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article28 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-ynamide
FormulaC23H20BrN5O2
Mass478.341
Exact Mass477.0800376
Composition C (57.75%), H (4.21%), Br (16.7%), N (14.64%), O (6.69%)
Atom Count51
PI9.28
Smilesc12c(cc(c(c1)NC(=O)C#CCN(C)C)OC)ncc(c2Nc1cccc(c1)Br)C#N
InChI1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16
(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyXVHPHLVYCRDHSU-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
Reference12502359
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 10906920
Drug Bank Link -
ChemSpider Link 9082179
ChEMBL Link CHEMBL116853
 
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