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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:dequalinium
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Accession:CHEBI:41872 term browser browse the term
Definition:A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.
Synonyms:related_synonym: Formula=C30H40N4;   InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2;   InChIKey=PCSWXVJAIHCTMO-UHFFFAOYSA-P;   SMILES=Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
 xref: CAS:6707-58-0;   Drug_Central:4376;   LINCS:LSM-5846
 xref_mesh: MESH:D003868
 xref: PDBeChem:DEQ;   Reaxys:3741219;   Wikipedia:Dequalinium



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dequalinium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase decreases activity ISO Dequalinium results in decreased activity of ACHE protein CTD PMID:33400519 NCBI chr12:19,407,359...19,413,713
Ensembl chr12:19,407,360...19,413,651
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 decreases expression ISO Dequalinium results in decreased expression of CCL2 protein CTD PMID:20116850 NCBI chr10:67,005,424...67,007,222
Ensembl chr10:67,005,424...67,007,226
JBrowse link
G Ccl3 C-C motif chemokine ligand 3 decreases expression ISO Dequalinium results in decreased expression of CCL3 protein CTD PMID:20116850 NCBI chr10:68,451,388...68,452,938
Ensembl chr10:68,451,388...68,452,938
JBrowse link
G Ccl4 C-C motif chemokine ligand 4 decreases expression ISO Dequalinium results in decreased expression of CCL4 protein CTD PMID:20116850 NCBI chr10:68,466,469...68,467,941
Ensembl chr10:68,452,052...68,468,231
JBrowse link
G Ccl5 C-C motif chemokine ligand 5 decreases expression ISO Dequalinium results in decreased expression of CCL5 protein CTD PMID:20116850 NCBI chr10:68,322,826...68,327,365
Ensembl chr10:68,322,829...68,327,377
JBrowse link
G Il6r interleukin 6 receptor decreases expression ISO Dequalinium results in decreased expression of IL6R protein modified form CTD PMID:20116850 NCBI chr 2:175,289,157...175,347,719
Ensembl chr 2:175,298,686...175,347,536
JBrowse link
G Kcnn1 potassium calcium-activated channel subfamily N member 1 decreases activity ISO Dequalinium results in decreased activity of KCNN1 protein CTD PMID:10696100 NCBI chr16:18,574,858...18,597,780
Ensembl chr16:18,585,992...18,597,482
JBrowse link
G Kcnn2 potassium calcium-activated channel subfamily N member 2 decreases activity EXP Dequalinium results in decreased activity of KCNN2 protein CTD PMID:10696100 NCBI chr18:37,817,966...38,258,347
Ensembl chr18:37,817,957...38,258,347
JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Dequalinium inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link
G Tp53 tumor protein p53 increases expression ISO Dequalinium results in increased expression of TP53 protein CTD PMID:21548882 NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524
JBrowse link
G Vegfa vascular endothelial growth factor A decreases expression ISO Dequalinium results in decreased expression of VEGFA protein CTD PMID:20116850 NCBI chr 9:14,955,300...14,970,641
Ensembl chr 9:14,955,300...14,970,641
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19757
      biological role 19757
        antimicrobial agent 17401
          antifungal agent 15099
            dequalinium 11
              dequalinium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon group molecular entity 19626
                          organic molecular entity 19616
                            organic ion 9153
                              organic cation 8094
                                quinolinium ion 33
                                  dequalinium 11
                                    dequalinium chloride 0
paths to the root