Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003700
Inhibitor ClassIndolinone
Molecule Name in Refrence Article18 compound
IUPAC Name4-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}phenyl)piperazine-1-carbaldehyde
FormulaC20H18BrN3O2
Mass412.28
Exact Mass411.0582395
Composition C (58.26%), H (4.4%), Br (19.38%), N (10.19%), O (7.76%)
Atom Count44
PI7.15
SmilesC1(=C/c2ccc(N3CCN(C=O)CC3)cc2)/C(=O)Nc2c1cc(cc2)Br
InChI1S/C20H18BrN3O2/c21-15-3-6-19-17(12-15)18(20(26)22-19)11-14-1-4-16(5-2-14)24-9-7-23(13-25)8-10-24/h1
-6,11-13H,7-10H2,(H,22,26)/b18-11-
InChIKeyBWIHZZBWTTUUMW-WQRHYEAKSA-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
Reference9651163
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesFLK-1 | IGF1R | PDGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23176980
ChEMBL Link CHEMBL88405
 
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