Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001019
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1f compound
IUPAC Nameethyl 4-{[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
FormulaC18H17BrN2O3
Mass389.243
Exact Mass388.0422551
Composition C (55.54%), H (4.4%), Br (20.53%), N (7.2%), O (12.33%)
Atom Count41
PI4.6
Smilesc12c(ccc(c1)Br)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)C
InChI1S/C18H17BrN2O3/c1-4-24-18(23)16-9(2)12(10(3)20-16)8-14-13-7-11(19)5-6-15(13)21-17(14)22/h5-8,20H,4H
2,1-3H3,(H,21,22)/b14-8+
InChIKeyXCJUKPCLAJRMEQ-RIYZIHGNSA-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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