Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003704
Inhibitor ClassIndolinone
Molecule Name in Refrence Article22 compound
IUPAC Name(3Z)-5-bromo-3-{[4-(morpholin-4-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
FormulaC19H17BrN2O2
Mass385.254
Exact Mass384.0473404
Composition C (59.23%), H (4.45%), Br (20.74%), N (7.27%), O (8.31%)
Atom Count41
PI6.15
SmilesC1(=C/c2ccc(N3CCOCC3)cc2)/C(=O)Nc2c1cc(cc2)Br
InChI1S/C19H17BrN2O2/c20-14-3-6-18-16(12-14)17(19(23)21-18)11-13-1-4-15(5-2-13)22-7-9-24-10-8-22/h1-6,11-
12H,7-10H2,(H,21,23)/b17-11-
InChIKeyVBZGAESQTIHMPD-BOPFTXTBSA-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 23176932
ChEMBL Link CHEMBL87080
 
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