<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:ns1="http://purl.obolibrary.org/obo#" xmlns:ns2="http://www.ebi.ac.uk/efo/" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_64191"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>nafadotride</rdfs:label> <skos:notation>CHEBI:64191</skos:notation> <obo_purl:IAO_0000115>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.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>nafadotride</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:149649-22-9</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>ChEMBL:134432</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>ChemIDplus:149649-22-9</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:8531087</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:9252981</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LINCS:LSM-1755</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:8531087</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:9252981</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:8356954</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Nafadotride</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MESH:C097285</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:64191</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns1:has_role rdf:resource="http://www.ebi.ac.uk/efo/EFO_0001899"/> <metadata_def:prefLabel>nafadotride</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>(+-)-nafadotride</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>nafadotride</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_64191"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C22H27N3O2</obo_purl:chebi/formula> <obo_purl:chebi/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)</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>IDZASIQMRGPBCQ-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>365.46870</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>365.21033</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_64191"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_64191"/> </rdf:Description> </rdf:RDF>