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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 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
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 4:146,374,596...146,458,148
Ensembl chr 4:146,455,332...146,457,074
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 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        pharmaceutical 19301
          drug 19301
            anti-allergic agent 3797
              clemastine 3
                clemastine fumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            inorganic hydride 17430
                              pnictogen hydride 17402
                                nitrogen hydride 17243
                                  azane 16960
                                    ammonia 16959
                                      organic amino compound 16958
                                        tertiary amino compound 8643
                                          N-alkylpyrrolidine 1141
                                            clemastine 3
                                              clemastine fumarate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.