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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:emedastine
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Accession:CHEBI:4779 term browser browse the term
Definition:1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis.
Synonyms:exact_synonym: 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
 related_synonym: 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole;   1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole;   1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole;   Formula=C17H26N4O;   InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3;   InChIKey=KBUZBQVCBVDWKX-UHFFFAOYSA-N;   SMILES=CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1;   emedastina;   emedastinum
 alt_id: CHEBI:119712
 xref: Beilstein:6068161;   CAS:87233-61-2;   DrugBank:DB01084;   Drug_Central:999;   KEGG:C07785;   KEGG:D07890;   LINCS:LSM-5331
 xref_mesh: MESH:C043345
 xref: Patent:US4430343;   Wikipedia:Emedastine


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emedastine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO emedastine 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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        pharmaceutical 19329
          drug 19329
            anti-allergic agent 3826
              emedastine 1
                emedastine difumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      p-block molecular entity 19716
                        carbon group molecular entity 19640
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  organic heteropolycyclic compound 18064
                                    organic heterobicyclic compound 16868
                                      benzimidazoles 1129
                                        emedastine 1
                                          emedastine difumarate 0
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