Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002977
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article2l compound
IUPAC Name2-(2-{[3-(carboxymethyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indol-3-yl)acetic acid
FormulaC22H20N2O4S2
Mass440.535
Exact Mass440.0864485
Composition C (59.98%), H (4.58%), N (6.36%), O (14.53%), S (14.56%)
Atom Count50
PINo isoelectric point.
Smilesc1(c(c2c(n1C)cccc2)CC(=O)O)SSc1c(c2c(n1C)cccc2)CC(=O)O
InChIInChI=1S/C22H20N2O4S2/c1-23-17-9-5-3-7-13(17)15(11-19(25)26)21(23)29-30-22-16(12-20(27)28)14-8-4-6-1
0-18(14)24(22)2/h3-10H,11-12H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyInChIKey=QWGHOVCDGWDKON-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 5328551
Drug Bank Link -
ChemSpider Link 4485715
ChEMBL Link CHEMBL84141
 
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