Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003719
Inhibitor ClassIndolinone
Molecule Name in Refrence Article37 compound
IUPAC Name(3E)-3-{1-[4-(piperidin-1-yl)phenyl]ethylidene}-2,3-dihydro-1H-indol-2-one
FormulaC21H22N2O
Mass318.4122
Exact Mass318.1732133
Composition C (79.21%), H (6.96%), N (8.8%), O (5.02%)
Atom Count46
PI8.19
SmilesC1(=O)/C(=C(/c2ccc(N3CCCCC3)cc2)C)/c2c(N1)cccc2
InChI1S/C21H22N2O/c1-15(20-18-7-3-4-8-19(18)22-21(20)24)16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,
2,5-6,13-14H2,1H3,(H,22,24)/b20-15+
InChIKeyDNHCCOIAADOQFR-HMMYKYKNSA-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 8838721
ChEMBL Link CHEMBL314798
 
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