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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:AZD1979
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Accession:CHEBI:139154 term browser browse the term
Definition:A carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist.
Synonyms:exact_synonym: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]{3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl}methanone
 related_synonym: AZD 1979;   Formula=C25H26N4O5;   InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3;   InChIKey=BKKPIQPFRAPEAY-UHFFFAOYSA-N;   SMILES=C1(CN(C1)C(C=2OC(=NN2)C3=CC=C(C=C3)OC)=O)OC4=CC=C(C=C4)CN5CC6(C5)COC6
 xref: CAS:1254035-84-1;   MetaCyc:CPD-20318;   PMID:26741166;   PMID:27256986;   PMID:27400775;   PMID:28556607;   Patent:WO2010125390;   Reaxys:20834832
 cyclic_relationship: is_conjugate_base_of CHEBI:138980


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          antagonist 0
            melanin-concentrating hormone receptor antagonist 0
              AZD1979 0
                AZD1979 oxetane hydrolysis product 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              N-acylazetidine 0
                                                AZD1979 0
                                                  AZD1979 oxetane hydrolysis product 0
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