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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:casopitant
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Accession:CHEBI:135967 term browser browse the term
Synonyms:related_synonym: Formula=C30H35F7N4O2;   GW-679769;   GW679769;   InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1;   InChIKey=XGGTZCKQRWXCHW-WMTVXVAQSA-N;   SMILES=C1CN(CCN1[C@@H]2C[C@@H](N(CC2)C(N([C@@H](C=3C=C(C=C(C3)C(F)(F)F)C(F)(F)F)C)C)=O)C4=C(C=C(C=C4)F)C)C(C)=O;   casopitant mesilate;   casopitant mesylate;   zunrisa
 xref: CAS:414910-27-3;   Drug_Central:4401
 xref_mesh: MESH:C531951



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casopitant term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Tacr1 tachykinin receptor 1 multiple interactions ISO casopitant binds to and results in decreased activity of TACR1 protein; casopitant inhibits the reaction [vofopitant binds to TACR1 protein] CTD PMID:21229983 NCBI chr 4:114,920,844...115,089,733
Ensembl chr 4:114,920,844...115,089,733
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      atom 19799
        nonmetal atom 19686
          nitrogen atom 18767
            nitrogen molecular entity 18767
              organonitrogen compound 18544
                organonitrogen heterocyclic compound 17661
                  piperidines 7587
                    casopitant 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organic heteromonocyclic compound 17120
                                    piperidines 7587
                                      casopitant 1
paths to the root