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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:LY404039
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Accession:CHEBI:94640 term browser browse the term
Definition: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.
Synonyms:exact_synonym: (1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide
 related_synonym: (-)-(1R,4S,5S,6S)-4-amino-2-sulfonylbicyclo[3.1.0]-hexane-4,6-dicarboxylic acid;   (1R,4S,5S,6S)-4-amino-2,2-dioxo-2lambda(6)-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid;   Formula=C7H9NO6S;   InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1;   InChIKey=AVDUGNCTZRCAHH-MDASVERJSA-N;   LY-404,039;   LY-404039;   SMILES=[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(O)=O;   pomaglumetad
 xref: CAS:635318-11-5;   Chemspider:8010312;   KEGG:C21577;   LINCS:LSM-5605;   PMID:16678921;   PMID:17204749;   PMID:17384937;   PMID:18424625;   PMID:19006848;   PMID:20571979;   PMID:21847569;   PMID:22884896;   PMID:23694720;   PMID:24486391;   PMID:25382826;   PMID:25755052;   PMID:31308026;   PMID:32403118;   Wikipedia:Pomaglumetad


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          agonist 0
            metabotropic glutamate receptor agonist 0
              LY404039 0
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                  main group element atom 0
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                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    dicarboxylic acids and O-substituted derivatives 0
                                      dicarboxylic acid 0
                                        LY404039 0
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