Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002967
Inhibitor ClassThioxo-indole
Molecule Name in Refrence Article11 compound
IUPAC Namemethyl 3-[(3S)-2-sulfanyl-3H-indol-3-yl]propanoate
FormulaC12H13NO2S
Mass235.302
Exact Mass235.0666994
Composition C (61.25%), H (5.57%), N (5.95%), O (13.6%), S (13.63%)
Atom Count29
PI6.83
SmilesC1(=Nc2c([C@@H]1CCC(=O)OC)cccc2)S
InChI1S/C12H13NO2S/c1-15-11(14)7-6-9-8-4-2-3-5-10(8)13-12(9)16/h2-5,9H,6-7H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyUXBYTLHRGMUZFT-VIFPVBQESA-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 -
Drug Bank Link -
ChemSpider Link 4485705
ChEMBL Link CHEMBL309716
 
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