Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001030
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1q compound
IUPAC Nameethyl 4-{[(3E)-5-(N',N'-dimethylhydrazinesulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate
FormulaC23H28N4O7S
Mass504.556
Exact Mass504.16787
Composition C (54.75%), H (5.59%), N (11.1%), O (22.2%), S (6.36%)
Atom Count63
PI4.59
Smilesc12c(ccc(c1)S(=O)(=O)NN(C)C)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC
InChI1S/C23H28N4O7S/c1-6-33-20(28)12-17-15(13(3)24-21(17)23(30)34-7-2)11-18-16-10-14(35(31,32)26-27(4)5)8
-9-19(16)25-22(18)29/h8-11,24,26H,6-7,12H2,1-5H3,(H,25,29)/b18-11+
InChIKeyZJHCOAFDUWCPDU-WOJGMQOQSA-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 enzymesNo activity data against other kinases present in database
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