LY404039 (CHEBI:94640)

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ChEBI Name	LY404039

ChEBI ID	CHEBI:94640

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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C7H9NO6S

Net Charge

Average Mass

235.210

Monoisotopic Mass

235.01506

InChI

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

SMILES

[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabotropic glutamate receptor agonist An agonist that selectively binds to and activates a metabotropic glutamate receptor. dopamine agonist A drug that binds to and activates dopamine receptors.

Application(s):	antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. dopamine agonist A drug that binds to and activates dopamine receptors.

ChEBI Ontology
Outgoing	LY404039 (CHEBI:94640) has role antipsychotic agent (CHEBI:35476) LY404039 (CHEBI:94640) has role anxiolytic drug (CHEBI:35474) LY404039 (CHEBI:94640) has role dopamine agonist (CHEBI:51065) LY404039 (CHEBI:94640) has role metabotropic glutamate receptor agonist (CHEBI:61966) LY404039 (CHEBI:94640) is a bridged compound (CHEBI:35990) LY404039 (CHEBI:94640) is a dicarboxylic acid (CHEBI:35692) LY404039 (CHEBI:94640) is a non-proteinogenic amino acid derivative (CHEBI:83812) LY404039 (CHEBI:94640) is a organic heterobicyclic compound (CHEBI:27171) LY404039 (CHEBI:94640) is a sulfone (CHEBI:35850)

IUPAC Name

(1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide

Synonyms	Sources
(−)-(1R,4S,5S,6S)-4-amino-2-sulfonylbicyclo[3.1.0]-hexane-4,6-dicarboxylic acid	ChEBI
(1R,4S,5S,6S)-4-amino-2,2-dioxo-2λ⁶-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid	IUPAC
LY 404039	ChemIDplus
LY-404,039	ChEBI
LY-404039	ChemIDplus
LY404039	ChemIDplus
pomaglumetad	ChEBI

Registry Number	Type	Source
635318-11-5	CAS Registry Number	ChemIDplus

Last Modified

06 May 2021