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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 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
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 chr11:61,819,102...61,883,223
Ensembl chr11:61,822,077...61,874,327
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 6:109,300,433...109,303,299
Ensembl chr 6:109,300,433...109,303,299
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    chemical entity 19785
      group 19696
        pseudohalo group 2881
          cyano group 2881
            nitrile 2881
              nafadotride 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                monocarboxylic acid amide 14551
                                                  arenecarboxamide 6507
                                                    naphthalenecarboxamide 3
                                                      nafadotride 3
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