LP-471756   

GtoPdb Ligand ID: 8774

Compound class: Synthetic organic
Comment: LP-471756 is reported as an antagonist of GPR139 [1]. LP-471756 and the GPR139 agonist LP-360924 are useful tool compounds for further investigation of GPR139 function.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 54.55
Molecular weight 329.14
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Isomeric SMILES Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1
InChI InChI=1S/C19H23NO2S/c1-15-7-5-6-10-19(15)20-23(21,22)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h5-7,10-14,16,20H,2-4,8-9H2,1H3
InChI Key STLMNZVBCJVQOZ-UHFFFAOYSA-N
References
1. Hu LA, Tang PM, Eslahi NK, Zhou T, Barbosa J, Liu Q. (2009)
Identification of surrogate agonists and antagonists for orphan G-protein-coupled receptor GPR139.
J Biomol Screen, 14 (7): 789-97. [PMID:19525486]