COMPUTED DESCRIPTORS
| Molecular Weight | 235.22 g/mol |
|---|---|
| XLogP3 | -4.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.01505818 g/mol |
| Monoisotopic Mass | 235.01505818 g/mol |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 451 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
LY404039 is an organic heterobicyclic compound that is (1S,5R)-2-thiabicyclo[3.1.0]hexane carrying oxo, oxo, amino, carboxy, and carboxy groups at positions 2, 2, 4S, 4S, and 6S, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 mGluR3 (Ki = 149 nM and 92 nM, respectively) and exhibits antipsychotic and anxiolytic efficacy in animal models. It has a role as a metabotropic glutamate receptor agonist, an antipsychotic agent, an anxiolytic drug and a dopamine agonist. It is a dicarboxylic acid, a bridged compound, an organic heterobicyclic compound, a sulfone and a non-proteinogenic amino acid derivative.