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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 19922
    role 19894
      application 19735
        NMR chemical shift reference compound 18101
          ammonia 17898
            organic amino compound 17898
              amine 8283
                tertiary amine 645
                  alverine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    main group molecular entity 19838
                      s-block molecular entity 19698
                        hydrogen molecular entity 19679
                          hydrides 19181
                            inorganic hydride 18192
                              pnictogen hydride 18157
                                nitrogen hydride 18070
                                  azane 17873
                                    ammonia 17898
                                      organic amino compound 17898
                                        tertiary amino compound 10158
                                          tertiary amine 645
                                            alverine 2
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