LY392098   Click here for help

GtoPdb Ligand ID: 4248

Synonyms: LY 392098 | LY-392098
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.55
Molecular weight 335.14
XLogP 4.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C
Isomeric SMILES CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C
InChI InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3
InChI Key CECANHFDVPUVMI-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluA4 Hs Allosteric modulator Positive 6.7 pEC50 - 1
pEC50 6.7 (EC50 2x10-7 M) [1]
GluA2 Hs Allosteric modulator Positive 6.7 pEC50 - 1
pEC50 6.7 (EC50 2.2x10-7 M) [1]
GluA1 Hs Allosteric modulator Positive 5.8 pEC50 - 1
pEC50 5.8 (EC50 1.77x10-6 M) [1]
GluA3 Hs Allosteric modulator Positive 5.7 pEC50 - 1
pEC50 5.7 (EC50 1.89x10-6 M) [1]
Targets where the ligand is described in the comment field
Target Comment