CHEBI:10056 - xanomeline

ChEBI IDCHEBI:10056
ChEBI Namexanomeline
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H23N3OS
Net Charge0
Average Mass281.425
Monoisotopic Mass281.15618
SMILESCCCCCCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
InChIKeyJOLJIIDDOBNFHW-UHFFFAOYSA-N
Roles Classification
Biological Roles:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
Applications:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
ChEBI Ontology
Outgoing Relation(s)
xanomeline (CHEBI:10056) has role muscarinic agonist (CHEBI:38325)
xanomeline (CHEBI:10056) has role serotonergic agonist (CHEBI:35941)
xanomeline (CHEBI:10056) is a tetrahydropyridine (CHEBI:26921)
xanomeline (CHEBI:10056) is a thiadiazoles (CHEBI:38099)
IUPAC Name 
5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine
INN  Source
xanomelineChemIDplus
Synonyms  Source
XanomelineKEGG COMPOUND
LY 246708IUPHAR
Manual XrefsDatabases
C11767KEGG COMPOUND
D06330KEGG DRUG
EP384288Patent
US5043345Patent
WO9429303Patent
3652DrugCentral
Registry NumbersSources
Beilstein:5480228Beilstein
CAS:131986-45-3KEGG COMPOUND
CAS:131986-45-3ChemIDplus