Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002966
Inhibitor ClassThioxo-indole
Molecule Name in Refrence Article10 compound
IUPAC Name3-[(3S)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]propanoic acid
FormulaC12H13NO2S
Mass235.302
Exact Mass235.0666994
Composition C (61.25%), H (5.57%), N (5.95%), O (13.6%), S (13.63%)
Atom Count29
PI0.79
SmilesN1(C(=S)[C@H](c2c1cccc2)CCC(=O)O)C
InChI1S/C12H13NO2S/c1-13-10-5-3-2-4-8(10)9(12(13)16)6-7-11(14)15/h2-5,9H,6-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyLBALNCFWTZTSFW-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 4485704
ChEMBL Link CHEMBL309765
 
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