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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:related_synonym: 1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole;   1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole;   Depocural;   Lergopenin;   clemizol;   clemizolum
 xref: CAS:442-52-4
 xref_mesh: MESH:C084582
 xref: Reaxys:323050;   drugcentral:672;   lincs.smallmolecule:LSM-5225;   pubmed:10759334;   pubmed:23143674;   wikipedia.en:Clemizole
 chemrof_formula: C19H20ClN3
 chemrof_inchikey: CJXAEXPPLWQRFR-UHFFFAOYSA-N
 chemrof_smiles: Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
 chemrof_inchi: 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
 cyclic_relationship: has_parent_hybride CHEBI:41275;   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 Cat catalase multiple interactions EXP [clemizole co-treated with Cisplatin] results in decreased expression of CAT protein; clemizole inhibits the reaction [Cisplatin results in decreased expression of CAT protein] CTD PMID:37102204 NCBI chr 3:110,297,340...110,329,526
Ensembl chr 3:110,297,342...110,329,526
JBrowse link
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 1:90,780,468...90,859,852 JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression
multiple interactions
ISO clemizole results in increased expression of CYP3A4 mRNA
[clemizole results in increased activity of NR1I2 protein] which results in increased expression of CYP3A4 mRNA
CTD PMID:31312845 NCBI chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857
JBrowse link
G G6pc1 glucose-6-phosphatase catalytic subunit 1 increases expression ISO clemizole results in increased expression of G6PC1 mRNA CTD PMID:31312845 NCBI chr10:86,807,659...86,819,023
Ensembl chr10:86,757,899...86,818,033
JBrowse link
G Lcn2 lipocalin 2 multiple interactions EXP [clemizole co-treated with Cisplatin] results in increased expression of LCN2 protein; clemizole inhibits the reaction [Cisplatin results in increased expression of LCN2 protein] CTD PMID:37102204 NCBI chr 3:36,078,432...36,081,851
Ensembl chr 3:36,078,436...36,081,842
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 chr10:83,641,851...83,685,560
Ensembl chr10:83,641,862...83,685,545
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 6:32,952,090...33,229,829
Ensembl chr 6:32,952,090...33,195,924
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 3:175,157,824...175,237,831
Ensembl chr 3:175,157,821...175,240,631
JBrowse link
G Nphs1 NPHS1 adhesion molecule, nephrin multiple interactions EXP [Cisplatin co-treated with clemizole] results in decreased expression of NPHS1 protein; clemizole inhibits the reaction [Cisplatin results in decreased expression of NPHS1 protein] CTD PMID:37102204 NCBI chr 1:94,848,261...94,876,522
Ensembl chr 1:94,848,261...94,876,521
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 chr11:75,965,717...76,006,733
Ensembl chr11:75,965,632...76,002,380
JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 affects localization
multiple interactions
affects binding
ISO clemizole affects the localization of NR1I3 protein mutant form
[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]
clemizole binds to NR1I3 protein
CTD PMID:31312845 NCBI chr13:86,165,327...86,170,362
Ensembl chr13:86,165,349...86,170,370
JBrowse link
G Pck1 phosphoenolpyruvate carboxykinase 1 increases expression ISO clemizole results in increased expression of PCK1 mRNA CTD PMID:31312845 NCBI chr 3:182,348,572...182,354,521
Ensembl chr 3:182,348,572...182,354,561
JBrowse link
G Rac1 Rac family small GTPase 1 multiple interactions EXP clemizole inhibits the reaction [Cisplatin results in increased expression of RAC1 protein] CTD PMID:37102204 NCBI chr12:16,150,411...16,170,864
Ensembl chr12:16,128,649...16,172,109
JBrowse link
G Scd stearoyl-CoA desaturase decreases expression ISO clemizole results in decreased expression of SCD mRNA CTD PMID:31312845 NCBI chr 1:253,218,968...253,232,101
Ensembl chr 1:253,218,970...253,231,785
JBrowse link
G Synpo synaptopodin multiple interactions EXP [Cisplatin co-treated with clemizole] results in decreased expression of SYNPO protein; clemizole inhibits the reaction [Cisplatin results in decreased expression of SYNPO protein] CTD PMID:37102204 NCBI chr18:56,326,369...56,347,359
Ensembl chr18:56,319,571...56,353,306
JBrowse link
G Thrsp thyroid hormone responsive affects expression ISO clemizole affects the expression of THRSP mRNA CTD PMID:31312845 NCBI chr 1:161,134,640...161,138,964
Ensembl chr 1:161,133,453...161,139,827
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        pharmacological role 19772
          antagonist 17418
            histamine antagonist 4935
              clemizole 16
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                carbocyclic compound 18739
                                  benzenoid aromatic compound 17899
                                    benzenes 17656
                                      chlorobenzenes 15281
                                        monochlorobenzenes 12256
                                          clemizole 16
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