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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:palonosetron
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Accession:CHEBI:85161 term browser browse the term
Definition:An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.
Synonyms:exact_synonym: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one
 related_synonym: 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one;   Formula=C19H24N2O;   InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1;   InChIKey=CPZBLNMUGSZIPR-NVXWUHKLSA-N;   SMILES=O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2;   palonosetronum
 xref: CAS:135729-61-2;   DrugBank:DB00377;   Drug_Central:2046;   HMDB:HMDB0014521;   KEGG:D07175;   LINCS:LSM-5266
 xref_mesh: MESH:C083418
 xref: PMID:23653153;   PMID:24129597;   PMID:24154700;   PMID:24280811;   PMID:24590374;   PMID:24604014;   PMID:24935579;   PMID:24947121;   PMID:25037960;   PMID:25063271;   PMID:25179689;   PMID:25360998;   PMID:25435944;   PMID:25533447;   Wikipedia:Palonosetron
 cyclic_relationship: is_conjugate_base_of CHEBI:85163


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palonosetron term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO palonosetron 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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      application 19471
        pharmaceutical 19319
          drug 19319
            antiemetic 5154
              palonosetron 1
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 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                lactam 8302
                                                  delta-lactam 1200
                                                    palonosetron 1
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