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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:alverine
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Accession:CHEBI:518413 term browser browse the term
Definition:A tertiary amine having one ethyl and two 3-phenylprop-1-yl groups attached to the nitrogen. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used (particularly as the citrate salt) in the treatment of irritable bowel syndrome.
Synonyms:exact_synonym: N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
 related_synonym: Bis(gamma-phenylpropyl)ethylamine;   Di(phenylpropyl)ethylamine;   Formula=C20H27N;   InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3;   InChIKey=ZPFXAOWNKLFJDN-UHFFFAOYSA-N;   N,N-Bis(3-phenylpropyl)ethylamine;   N-Ethyl-3,3'-diphenyldipropylamine;   N-Ethyl-3-phenyl-N-(3-phenylpropyl)-1-propanamine;   N-Ethyl-N-(3-phenylpropyl)benzenepropanamine;   Phenopropamine;   Phenpropamine;   SMILES=CCN(CCCc1ccccc1)CCCc1ccccc1;   alverina;   alverinum
 xref: Beilstein:2856783;   CAS:150-59-4;   DrugBank:DB01616;   Drug_Central:142;   KEGG:D07440;   LINCS:LSM-3988
 xref_mesh: MESH:C010846
 cyclic_relationship: is_conjugate_base_of CHEBI:64320


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alverine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Htr1a 5-hydroxytryptamine receptor 1A affects binding EXP alverine binds to HTR1A protein CTD PMID:11697552 NCBI chr 2:36,693,462...36,698,026
Ensembl chr 2:36,694,174...36,695,442 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO alverine results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        NMR chemical shift reference compound 17936
          ammonia 17795
            organic amino compound 17795
              amine 8267
                tertiary amine 640
                  alverine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        tertiary amino compound 10124
                                          tertiary amine 640
                                            alverine 2
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