Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002963
Inhibitor ClassThioxo-indole
Molecule Name in Refrence Article7 compound
IUPAC Namemethyl 2-[(3S)-2-sulfanyl-3H-indol-3-yl]acetate
FormulaC11H11NO2S
Mass221.276
Exact Mass221.0510493
Composition C (59.71%), H (5.01%), N (6.33%), O (14.46%), S (14.49%)
Atom Count26
PI9.76
SmilesC1(=Nc2c([C@@H]1CC(=O)OC)cccc2)S
InChI1S/C11H11NO2S/c1-14-10(13)6-8-7-4-2-3-5-9(7)12-11(8)15/h2-5,8H,6H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyHSUWGLPKYSSVBN-QMMMGPOBSA-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 4485701
ChEMBL Link CHEMBL312001
 
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