Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001026
Inhibitor ClassIndolinone
Molecule Name in Refrence Article1m compound
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-5-(methylsulfamoyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate
FormulaC22H25N3O7S
Mass475.515
Exact Mass475.1413209
Composition C (55.57%), H (5.3%), N (8.84%), O (23.55%), S (6.74%)
Atom Count58
PI3.95
Smilesc12c(ccc(c1)S(=O)(=O)NC)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC
InChI1S/C22H25N3O7S/c1-5-31-19(26)11-16-14(12(3)24-20(16)22(28)32-6-2)10-17-15-9-13(33(29,30)23-4)7-8-18(
15)25-21(17)27/h7-10,23-24H,5-6,11H2,1-4H3,(H,25,27)/b17-10+
InChIKeyRMNVQAMVRYBPMK-LICLKQGHSA-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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