Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003728
Inhibitor ClassIndolinone
Molecule Name in Refrence Article46 compound
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-fluoro-2,3-dihydro-1H-indol-2-one
FormulaC15H13FN2O
Mass256.2749
Exact Mass256.1011913
Composition C (70.3%), H (5.11%), F (7.41%), N (10.93%), O (6.24%)
Atom Count32
PI4.43
SmilesC1(=C/c2[nH]c(cc2C)C)/C(=O)Nc2c1ccc(c2)F
InChI1S/C15H13FN2O/c1-8-5-9(2)17-13(8)7-12-11-4-3-10(16)6-14(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-
7-
InChIKeyLIRKGVXMEOVEPG-GHXNOFRVSA-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 8928873
ChEMBL Link CHEMBL87324
 
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