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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 8:49,708,903...49,772,888
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 19812
    chemical entity 19812
      group 19734
        pseudohalo group 3494
          cyano group 3494
            nitrile 3494
              nafadotride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic group 18730
                              organic divalent group 18721
                                organodiyl group 18721
                                  carbonyl group 18670
                                    carbonyl compound 18670
                                      carboxylic acid 18367
                                        carboacyl group 17487
                                          univalent carboacyl group 17487
                                            carbamoyl group 17303
                                              carboxamide 17303
                                                monocarboxylic acid amide 15020
                                                  arenecarboxamide 7271
                                                    naphthalenecarboxamide 3
                                                      nafadotride 3
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