LY2087101   Click here for help

GtoPdb Ligand ID: 3992

Synonyms: LY 2087101 | LY-2087101
Compound class: Synthetic organic
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 98.47
Molecular weight 318.03
XLogP 3.05
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C
Isomeric SMILES Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C
InChI InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α2 subunit Hs Allosteric modulator Positive - - - 1
nicotinic acetylcholine receptor α4 subunit Hs Allosteric modulator Positive - - - 1
potentiates α4β2 and α4β4 [1]
nicotinic acetylcholine receptor α7 subunit Hs Allosteric modulator Positive - - - 1
(α7)5:Type 1 [1]