Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003734
Inhibitor ClassIndolinone
Molecule Name in Refrence Article52 compound
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methyl-2,3-dihydro-1H-indol-2-one
FormulaC16H16N2O
Mass252.311
Exact Mass252.1262631
Composition C (76.16%), H (6.39%), N (11.1%), O (6.34%)
Atom Count35
PI4.77
SmilesC1(=C/c2[nH]c(cc2C)C)/C(=O)Nc2c1c(ccc2)C
InChI1S/C16H16N2O/c1-9-5-4-6-13-15(9)12(16(19)18-13)8-14-10(2)7-11(3)17-14/h4-8,17H,1-3H3,(H,18,19)/b12-8
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InChIKeyODBURYRLZZGLFM-WQLSENKSSA-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 | PDGFR | FLK-1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 8439701
ChEMBL Link CHEMBL330321
 
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