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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:clemastine
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Accession:CHEBI:3738 term browser browse the term
Definition:2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.
Synonyms:exact_synonym: (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
 related_synonym: (+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine;   Formula=C21H26ClNO;   InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1;   InChIKey=YNNUSGIPVFPVBX-NHCUHLMSSA-N;   SMILES=[H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1;   clemastina;   clemastinum
 alt_id: CHEBI:569763
 xref: Beilstein:6486432;   CAS:15686-51-8;   DrugBank:DB00283;   Drug_Central:671;   KEGG:C06913;   KEGG:D03535;   LINCS:LSM-2655
 xref_mesh: MESH:D002974
 xref: PMID:18788725;   Patent:GB942152;   Wikipedia:Clemastine



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clemastine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO Clemastine results in decreased activity of ABCB4 protein CTD PMID:28437613 NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202
JBrowse link
G Hrh1 histamine receptor H 1 multiple interactions ISO Clemastine binds to and results in decreased activity of HRH1 protein CTD PMID:2864258 NCBI chr 4:147,564,781...147,649,353
Ensembl chr 4:147,645,995...147,647,455
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Clemastine 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 19823
    role 19773
      application 19486
        pharmaceutical 19335
          drug 19335
            anti-allergic agent 3829
              clemastine 3
                clemastine fumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    main group molecular entity 19720
                      s-block molecular entity 19502
                        hydrogen molecular entity 19495
                          hydrides 18855
                            inorganic hydride 17694
                              pnictogen hydride 17675
                                nitrogen hydride 17547
                                  azane 17280
                                    ammonia 17279
                                      organic amino compound 17279
                                        tertiary amino compound 8687
                                          N-alkylpyrrolidine 1182
                                            clemastine 3
                                              clemastine fumarate 0
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