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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 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
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 chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
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 chr10:86,307,400...86,318,766 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 chr10:83,145,538...83,189,260
Ensembl chr10:83,145,568...83,189,299
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 6:27,232,609...27,507,992
Ensembl chr 6:27,232,611...27,475,664
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 3:154,738,566...154,821,395
Ensembl chr 3:154,738,581...154,818,594
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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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 chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
JBrowse link
G Pck1 phosphoenolpyruvate carboxykinase 1 increases expression ISO clemizole results in increased expression of PCK1 mRNA CTD PMID:31312845 NCBI chr 3:161,930,256...161,936,205
Ensembl chr 3:161,930,256...161,936,191
JBrowse link
G Scd stearoyl-CoA desaturase decreases expression ISO clemizole results in decreased expression of SCD mRNA CTD PMID:31312845 NCBI chr 1:243,269,745...243,282,878
Ensembl chr 1:243,269,747...243,282,562
JBrowse link
G Thrsp thyroid hormone responsive affects expression ISO clemizole affects the expression of THRSP mRNA CTD PMID:31312845 NCBI chr 1:151,723,415...151,727,740
Ensembl chr 1:151,723,086...151,728,075
JBrowse link

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  CHEBI ontology 19795
    role 19746
      biological role 19746
        pharmacological role 18832
          antagonist 16319
            histamine antagonist 4620
              clemizole 11
Path 2
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  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19614
                        carbon atom 19604
                          organic molecular entity 19604
                            organic molecule 19545
                              organic cyclic compound 19339
                                organic heterocyclic compound 18579
                                  organic heteropolycyclic compound 18039
                                    organic heterobicyclic compound 16857
                                      benzimidazoles 1136
                                        benzimidazole 364
                                          1H-benzimidazole 361
                                            clemizole 11
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