CHEBI:73378 - mesulergine

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ChEBI Name mesulergine
ChEBI ID CHEBI:73378
Definition A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C18H26N4O2S
Net Charge 0
Average Mass 362.491
Monoisotopic Mass 362.17765
InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
InChIKey JLVHTNZNKOSCNB-YSVLISHTSA-N
SMILES C1=C2C3=C(C=CC=C3[C@@]4([C@@](C2)(N(C[C@H](C4)NS(N(C)C)(=O)=O)C)[H])[H])N1C
Roles Classification
Biological Role(s): dopamine agonist
A drug that binds to and activates dopamine receptors.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): antiparkinson drug
A drug used in the treatment of Parkinson's disease.
dopamine agonist
A drug that binds to and activates dopamine receptors.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
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ChEBI Ontology
Outgoing mesulergine (CHEBI:73378) has parent hydride ergoline (CHEBI:38484)
mesulergine (CHEBI:73378) has role antiparkinson drug (CHEBI:48407)
mesulergine (CHEBI:73378) has role dopamine agonist (CHEBI:51065)
mesulergine (CHEBI:73378) has role serotonergic antagonist (CHEBI:48279)
mesulergine (CHEBI:73378) is a ergot alkaloid (CHEBI:23943)
mesulergine (CHEBI:73378) is a sulfamides (CHEBI:51871)
IUPAC Name
N'-[(8α)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide
INNs Sources
mesulergina ChemIDplus
mésulergine WHO MedNet
mesulergine ChemIDplus
mesulerginum ChemIDplus
Synonym Source
N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide ChemIDplus
Manual Xrefs Databases
LSM-4045 LINCS
Mesulergine Wikipedia
US4515950 Patent
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Registry Numbers Types Sources
64795-35-3 CAS Registry Number ChemIDplus
714438 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 November 2018