Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003731
Inhibitor ClassIndolinone
Molecule Name in Refrence Article49 compound
IUPAC Name(3Z)-3-[(3-ethyl-4,5-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(c1CC)C)C
InChI1S/C17H18N2O/c1-4-12-10(2)11(3)18-16(12)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-
InChIKeyHKJUJLRPOAIDLV-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 enzymesIGF1R | FLK-1 | PDGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 8396474
ChEMBL Link CHEMBL313433
 
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