LY404187   Click here for help

GtoPdb Ligand ID: 4249

Synonyms: LY 404187 | LY-404,187 | LY-404187
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 78.34
Molecular weight 342.14
XLogP 3.9
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C
Isomeric SMILES N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C
InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluA2 Hs Allosteric modulator Positive 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.5x10-7 M) [1]
GluA4 Hs Allosteric modulator Positive 6.7 pEC50 - 1
pEC50 6.7 (EC50 2.1x10-7 M) [1]
GluA3 Hs Allosteric modulator Positive 5.8 pEC50 - 1
pEC50 5.8 (EC50 1.66x10-6 M) [1]
GluA1 Hs Allosteric modulator Positive 5.3 pEC50 - 1
pEC50 5.3 (EC50 5.65x10-6 M) [1]
Targets where the ligand is described in the comment field
Target Comment