LY404039 (CHEBI:94640)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94640 - LY404039

Take structure to advanced search

ChEBI ID	CHEBI:94640
ChEBI Name	LY404039
Stars
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.
Last Modified	6 May 2021
Downloads	Molfile

Formula	C7H9NO6S
Net Charge	0
Average Mass	235.217
Monoisotopic Mass	235.01506
SMILES	[H][C@@]12[C@@H](C(=O)O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(=O)O
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

Wikipedia

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	dopamine agonist A drug that binds to and activates dopamine receptors. metabotropic glutamate receptor agonist An agonist that selectively binds to and activates a metabotropic glutamate receptor.
Applications:	antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. dopamine agonist A drug that binds to and activates dopamine receptors. 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.

ChEBI Ontology

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

Manual Xrefs	Databases
LSM-5605	LINCS
C21577	KEGG COMPOUND
Pomaglumetad	Wikipedia
8010312	ChemSpider

Registry Numbers	Sources
CAS:635318-11-5	ChemIDplus

Citations