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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:clemizole
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Accession:CHEBI:52140 term browser browse the term
Definition:A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively.
Synonyms:exact_synonym: 1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole
 related_synonym: 1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole;   Depocural;   Formula=C19H20ClN3;   InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2;   InChIKey=CJXAEXPPLWQRFR-UHFFFAOYSA-N;   Lergopenin;   SMILES=Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1;   clemizol;   clemizolum
 xref: Beilstein:323050;   CAS:442-52-4;   Drug_Central:672;   LINCS:LSM-5225
 xref_mesh: MESH:C084582
 xref: PMID:10759334;   PMID:23143674;   Reaxys:323050;   Wikipedia:Clemizole
 cyclic_relationship: is_conjugate_base_of CHEBI:52146


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clemizole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 increases expression
multiple interactions
ISO clemizole results in increased expression of CYP2B6 mRNA
[clemizole co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA; [clemizole co-treated with NR1I3 protein mutant form] results in increased expression of CYP2B6 mRNA
CTD PMID:31312845 NCBI chr 1:83,163,103...83,236,615
Ensembl chr 1:83,163,079...83,236,615
JBrowse link
G G6pc1 glucose-6-phosphatase catalytic subunit 1 increases expression ISO clemizole results in increased expression of G6PC mRNA CTD PMID:31312845 NCBI chr10:89,286,009...89,296,213
Ensembl chr10:89,285,855...89,296,213
JBrowse link
G Med1 mediator complex subunit 1 multiple interactions ISO clemizole promotes the reaction [MED1 protein binds to NR1I3 protein alternative form] CTD PMID:31312845 NCBI chr10:86,101,560...86,145,271
Ensembl chr10:86,103,600...86,144,880
JBrowse link
G Ncoa1 nuclear receptor coactivator 1 multiple interactions ISO clemizole promotes the reaction [NCOA1 protein binds to NR1I3 protein alternative form]; clemizole promotes the reaction [NCOA1 protein binds to NR1I3 protein] CTD PMID:31312845 NCBI chr 6:28,677,563...28,931,844
Ensembl chr 6:28,677,540...28,931,843
JBrowse link
G Ncoa3 nuclear receptor coactivator 3 multiple interactions ISO clemizole promotes the reaction [NCOA3 protein binds to NR1I3 protein] CTD PMID:31312845 NCBI chr 3:162,692,176...162,788,582
Ensembl chr 3:162,692,185...162,787,548
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions
increases activity
ISO [clemizole results in increased activity of NR1I2 protein] which results in increased expression of CYP3A4 mRNA CTD PMID:31312845 NCBI chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 affects localization
affects binding
multiple interactions
ISO clemizole affects the localization of NR1I3 protein mutant form
clemizole binds to NR1I3 protein
[clemizole co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA; [clemizole co-treated with NR1I3 protein mutant form] results in increased expression of CYP2B6 mRNA; clemizole binds to and results in increased activity of NR1I3 protein alternative form; clemizole inhibits the reaction [ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo(b,f)azepin-3-yl)carbamate results in decreased activity of NR1I3 protein]; clemizole promotes the reaction [MED1 protein binds to NR1I3 protein alternative form]; clemizole promotes the reaction [NCOA1 protein binds to NR1I3 protein alternative form]; clemizole promotes the reaction [NCOA1 protein binds to NR1I3 protein]; clemizole promotes the reaction [NCOA3 protein binds to NR1I3 protein]
CTD PMID:31312845 NCBI chr13:89,585,072...89,591,278
Ensembl chr13:89,586,283...89,591,277
JBrowse link
G Pck1 phosphoenolpyruvate carboxykinase 1 increases expression ISO clemizole results in increased expression of PCK1 mRNA CTD PMID:31312845 NCBI chr 3:171,213,936...171,219,885
Ensembl chr 3:171,213,936...171,219,871
JBrowse link
G Scd stearoyl-CoA desaturase decreases expression ISO clemizole results in decreased expression of SCD mRNA CTD PMID:31312845 NCBI chr 1:264,159,966...264,173,061
Ensembl chr 1:264,160,129...264,172,729
JBrowse link
G Thrsp thyroid hormone responsive affects expression ISO clemizole affects the expression of THRSP mRNA CTD PMID:31312845 NCBI chr 1:162,381,251...162,385,575
Ensembl chr 1:162,381,253...162,385,575
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        pharmacological role 18821
          antagonist 16219
            histamine antagonist 4606
              clemizole 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic molecule 19514
                              organic cyclic compound 19311
                                organic heterocyclic compound 18425
                                  organic heteropolycyclic compound 17838
                                    organic heterobicyclic compound 16763
                                      benzimidazoles 856
                                        benzimidazole 68
                                          1H-benzimidazole 66
                                            clemizole 10
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