CHEBI:64191 - nafadotride

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ChEBI Name nafadotride
ChEBI ID CHEBI:64191
Definition A naphthalenecarboxamide resulting from the formal condensation of the carboxylic acid group of 4-cyano-1-methoxynaphthalene-2-carboxylic acid with the primary amino group of 1-(1-butylpyrrolidin-2-yl]methanamine. It is a highly potent, competitive, preferential dopamine D3 receptor antagonist, centrally active upon systemic administration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H27N3O2
Net Charge 0
Average Mass 365.46870
Monoisotopic Mass 365.21033
InChI InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
InChIKey IDZASIQMRGPBCQ-UHFFFAOYSA-N
SMILES CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Application(s): dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
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ChEBI Ontology
Outgoing nafadotride (CHEBI:64191) has role dopaminergic antagonist (CHEBI:48561)
nafadotride (CHEBI:64191) is a aromatic ether (CHEBI:35618)
nafadotride (CHEBI:64191) is a naphthalenecarboxamide (CHEBI:48739)
nafadotride (CHEBI:64191) is a nitrile (CHEBI:18379)
nafadotride (CHEBI:64191) is a pyrrolidines (CHEBI:38260)
nafadotride (CHEBI:64191) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
Synonyms Sources
(±)-nafadotride ChEBI
nafadotride ChEBI
Manual Xrefs Databases
LSM-1755 LINCS
Nafadotride Wikipedia
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Registry Numbers Types Sources
149649-22-9 CAS Registry Number ChemIDplus
8356954 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
8531087 PubMed citation Europe PMC
9252981 PubMed citation Europe PMC
Last Modified
24 February 2016