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CHEBI:64191 - nafadotride

ChEBI IDCHEBI:64191
ChEBI Namenafadotride
Stars
DefinitionA 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.
Last Modified24 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H27N3O2
Net Charge0
Average Mass365.477
Monoisotopic Mass365.21033
SMILESCCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC
InChIInChI=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)
InChIKeyIDZASIQMRGPBCQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Application:
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
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  Source
nafadotrideChEBI
(±)-nafadotrideChEBI
Manual XrefsDatabases
NafadotrideWikipedia
LSM-1755LINCS
Registry NumbersSources
Reaxys:8356954Reaxys
CAS:149649-22-9ChemIDplus
Citations