Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001017
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1d compound
IUPAC Namemethyl 4-{[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate
FormulaC19H17BrN2O5
Mass433.253
Exact Mass432.0320843
Composition C (52.67%), H (3.95%), Br (18.44%), N (6.47%), O (18.46%)
Atom Count44
PI4.56
Smilesc12c(ccc(c1)Br)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OC)CC(=O)OC
InChI1S/C19H17BrN2O5/c1-9-11(13(8-16(23)26-2)17(21-9)19(25)27-3)7-14-12-6-10(20)4-5-15(12)22-18(14)24/h4-
7,21H,8H2,1-3H3,(H,22,24)/b14-7+
InChIKeyXAZOSDZFBJFYFB-VGOFMYFVSA-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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