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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 4:26,106,895...26,164,440 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 4:149,120,511...149,204,267
Ensembl chr 4:149,120,039...149,208,248 		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 4:11,719,357...11,751,424
Ensembl chr 4:11,692,980...11,751,421 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      application 20621
        pharmaceutical 20416
          drug 20416
            anti-allergic agent 3966
              clemastine 3
                clemastine fumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            inorganic hydride 18602
                              pnictogen hydride 18589
                                nitrogen hydride 18502
                                  azane 18262
                                    ammonia 18261
                                      organic amino compound 18261
                                        tertiary amino compound 11023
                                          N-alkylpyrrolidine 1244
                                            clemastine 3
                                              clemastine fumarate 0
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