Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002993
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article37 compound
IUPAC Namemethyl 4-(2-{[3-(4-methoxy-4-oxobutyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)butanoate
FormulaC28H32N2O4S2
Mass524.695
Exact Mass524.1803489
Composition C (64.09%), H (6.15%), N (5.34%), O (12.2%), S (12.22%)
Atom Count68
PINo isoelectric point.
Smilesc1(n(c2c(c1CCCC(=O)OC)cccc2)C)SSc1n(c2c(c1CCCC(=O)OC)cccc2)C
InChI1S/C28H32N2O4S2/c1-29-23-15-7-5-11-19(23)21(13-9-17-25(31)33-3)27(29)35-36-28-22(14-10-18-26(32)34-4
)20-12-6-8-16-24(20)30(28)2/h5-8,11-12,15-16H,9-10,13-14,17-18H2,1-4H3
InChIKeyIOJZVEHURUQVIF-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 5328568
Drug Bank Link -
ChemSpider Link 4485732
ChEMBL Link CHEMBL419280
 
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