Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003729
Inhibitor ClassIndolinone
Molecule Name in Refrence Article47 compound
IUPAC Name(3Z)-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
FormulaC17H18N2O
Mass266.3376
Exact Mass266.1419132
Composition C (76.66%), H (6.81%), N (10.52%), O (6.01%)
Atom Count38
PI4.6
Smilesc1(/C=C/2C(=O)Nc3c2cccc3)[nH]c(c(c1C)CC)C
InChI1S/C17H18N2O/c1-4-12-10(2)16(18-11(12)3)9-14-13-7-5-6-8-15(13)19-17(14)20/h5-9,18H,4H2,1-3H3,(H,19,2
0)/b14-9-
InChIKeyCCFZIYLSHQCVQI-ZROIWOOFSA-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 10714204
ChEMBL Link CHEMBL420411
 
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