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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


show annotations for term's descendants           Sort by:
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 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    chemical entity 19846
      atom 19846
        nonmetal atom 19784
          nitrogen atom 18965
            nitrogen molecular entity 18965
              organonitrogen compound 18816
                organonitrogen heterocyclic compound 18155
                  piperidines 7743
                    casopitant 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic heterocyclic compound 18878
                                  organic heteromonocyclic compound 17804
                                    piperidines 7743
                                      casopitant 1
paths to the root