Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001014
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1a compound
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate
FormulaC21H22N2O5
Mass382.4098
Exact Mass382.1528718
Composition C (65.96%), H (5.8%), N (7.33%), O (20.92%)
Atom Count50
PI4.58
Smilesc12c(cccc1)NC(=O)/C/2=Cc1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC
InChI1S/C21H22N2O5/c1-4-27-18(24)11-15-14(12(3)22-19(15)21(26)28-5-2)10-16-13-8-6-7-9-17(13)23-20(16)25/h
6-10,22H,4-5,11H2,1-3H3,(H,23,25)/b16-10+
InChIKeyMVXYPAJCYZXPRB-MHWRWJLKSA-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
Reference17184594
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesFGFR | PDGFR | VEGFR | ALL
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