Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002987
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article31 compound
IUPAC Name3-(2-{[3-(2-carboxyethyl)-5-methyl-1H-indol-2-yl]disulfanyl}-5-methyl-1H-indol-3-yl)propanoic acid
FormulaC24H24N2O4S2
Mass468.588
Exact Mass468.1177486
Composition C (61.52%), H (5.16%), N (5.98%), O (13.66%), S (13.69%)
Atom Count56
PINo isoelectric point.
Smilesc1(c(c2c([nH]1)ccc(c2)C)CCC(=O)O)SSc1c(c2c([nH]1)ccc(c2)C)CCC(=O)O
InChI1S/C24H24N2O4S2/c1-13-3-7-19-17(11-13)15(5-9-21(27)28)23(25-19)31-32-24-16(6-10-22(29)30)18-12-14(2)
4-8-20(18)26-24/h3-4,7-8,11-12,25-26H,5-6,9-10H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyLOGBNOOWFMSMKQ-UHFFFAOYSA-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
Reference8355247
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328562
Drug Bank Link -
ChemSpider Link 4485726
ChEMBL Link CHEMBL83559
 
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