Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002973
Inhibitor ClassThioxo-indole
Molecule Name in Refrence Article17 compound
IUPAC Name3-[3-(2-carboxyethyl)-2-sulfanyl-3H-indol-3-yl]propanoic acid
FormulaC14H15NO4S
Mass293.338
Exact Mass293.0721787
Composition C (57.32%), H (5.15%), N (4.77%), O (21.82%), S (10.93%)
Atom Count35
PI3.84
SmilesC1(C(=Nc2c1cccc2)S)(CCC(=O)O)CCC(=O)O
InChI1S/C14H15NO4S/c16-11(17)5-7-14(8-6-12(18)19)9-3-1-2-4-10(9)15-13(14)20/h1-4H,5-8H2,(H,15,20)(H,16,17
)(H,18,19)
InChIKeyIJOAKLSOTLZPAD-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328547
Drug Bank Link -
ChemSpider Link 4485711
ChEMBL Link CHEMBL82640
 
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