Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003726
Inhibitor ClassIndolinone
Molecule Name in Refrence Article44 compound
IUPAC Nameethyl 4-methyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxylate
FormulaC17H16N2O3
Mass296.3205
Exact Mass296.1160924
Composition C (68.91%), H (5.44%), N (9.45%), O (16.2%)
Atom Count38
PI4.6
Smilesc1(c(c(/C=C/2C(=O)Nc3c2cccc3)[nH]c1)C)C(=O)OCC
InChI1S/C17H16N2O3/c1-3-22-17(21)13-9-18-15(10(13)2)8-12-11-6-4-5-7-14(11)19-16(12)20/h4-9,18H,3H2,1-2H3,
(H,19,20)/b12-8-
InChIKeyFRFBYLIZAQERFO-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 23189207
ChEMBL Link CHEMBL316008
 
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