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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:nafadotride
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Accession:CHEBI:64191 term browser browse the term
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.
Synonyms:exact_synonym: N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
 related_synonym: Formula=C22H27N3O2;   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
 xref: CAS:149649-22-9;   LINCS:LSM-1755
 xref_mesh: MESH:C097285
 xref: PMID:8531087;   PMID:9252981;   Reaxys:8356954;   Wikipedia:Nafadotride


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nafadotride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd2 dopamine receptor D2 multiple interactions ISO nafadotride binds to and results in decreased activity of DRD2 protein CTD PMID:10728880 NCBI chr 8:49,708,927...49,772,876
Ensembl chr 8:49,708,927...49,772,875 		JBrowse link
G Drd3 dopamine receptor D3 multiple interactions ISO nafadotride binds to and results in decreased activity of DRD3 protein; nafadotride inhibits the reaction [7-(N,N-dipropylamino)-5,6,7,8-tetrahydronaphtho(2,3-b)dihydro-2,3-furan binds to and results in increased activity of DRD3 protein] CTD PMID:10683862 PMID:10728880 NCBI chr11:56,879,689...56,931,901
Ensembl chr11:56,879,689...56,940,596 		JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit increases expression EXP nafadotride results in increased expression of FOS mRNA CTD PMID:9751140 PMID:10432116 NCBI chr 6:105,121,170...105,124,036
Ensembl chr 6:105,121,170...105,124,036 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20845
    chemical entity 20843
      group 20786
        pseudohalo group 4665
          cyano group 4665
            nitrile 4665
              nafadotride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            heteroorganic entity 20202
                              organochalcogen compound 19890
                                organooxygen compound 19792
                                  carbon oxoacid 19137
                                    carboxylic acid 19134
                                      carboacyl group 18064
                                        univalent carboacyl group 18064
                                          carbamoyl group 17899
                                            carboxamide 17899
                                              monocarboxylic acid amide 15935
                                                arenecarboxamide 8277
                                                  naphthalenecarboxamide 3
                                                    nafadotride 3
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