Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003730
Inhibitor ClassIndolinone
Molecule Name in Refrence Article48 compound
IUPAC Nameethyl 2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxylate
FormulaC18H18N2O3
Mass310.3471
Exact Mass310.1317425
Composition C (69.66%), H (5.85%), N (9.03%), O (15.47%)
Atom Count41
PI4.6
Smilesc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)OCC)C)/C(=O)N2
InChI1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3
H3,(H,20,21)/b13-9-
InChIKeyPMUJUSJUVIXDQC-LCYFTJDESA-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 4925465
ChEMBL Link CHEMBL86943
 
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