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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:varenicline
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Accession:CHEBI:84500 term browser browse the term
Definition:An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking.
Synonyms:exact_synonym: 7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline
 related_synonym: 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine;   Formula=C13H13N3;   InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+;   InChIKey=JQSHBVHOMNKWFT-DTORHVGOSA-N;   SMILES=C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21;   vareniclina;   vareniclinum
 xref: CAS:249296-44-4;   DrugBank:DB01273;   Drug_Central:2808;   HMDB:HMDB0015398;   KEGG:D08669;   LINCS:LSM-5358
 xref_mesh: MESH:D000068580
 xref: PDBeChem:QMR;   PMID:24406270;   PMID:24652107;   PMID:24763764;   PMID:24856597;   PMID:24906297;   PMID:24949564;   PMID:25062287;   PMID:25145377;   PMID:25331778;   PMID:25352081;   PMID:25410148;   PMID:25449275;   PMID:25462656;   PMID:25475645;   PMID:25485645;   PMID:25497715;   PMID:25572451;   PMID:25588294;   PMID:25616031;   Reaxys:10668886;   Wikipedia:Varenicline
 cyclic_relationship: is_conjugate_base_of CHEBI:84508



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varenicline term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Apoe apolipoprotein E affects response to substance ISO APOE protein affects the susceptibility to Varenicline CTD PMID:28202387 NCBI chr 1:79,353,924...79,357,852
Ensembl chr 1:79,353,916...79,357,932
JBrowse link
G Cd36 CD36 molecule multiple interactions
increases expression
ISO methyllycaconitine inhibits the reaction [Varenicline results in increased expression of CD36 mRNA]; methyllycaconitine inhibits the reaction [Varenicline results in increased expression of CD36 protein]
Varenicline results in increased expression of CD36 mRNA; Varenicline results in increased expression of CD36 protein
CTD PMID:28202387 NCBI chr 4:17,317,343...17,410,084 JBrowse link
G Cdh5 cadherin 5 decreases expression
multiple interactions
ISO Varenicline results in decreased expression of CDH5
2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one inhibits the reaction [Varenicline results in decreased expression of CDH5]; methyllycaconitine inhibits the reaction [Varenicline results in decreased expression of CDH5]; pyrazolanthrone inhibits the reaction [Varenicline results in decreased expression of CDH5]; SB 203580 inhibits the reaction [Varenicline results in decreased expression of CDH5]
CTD PMID:28842382 NCBI chr19:815,415...854,478
Ensembl chr19:815,411...854,368
JBrowse link
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit multiple interactions EXP Varenicline binds to and results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]; Varenicline binds to and results in increased activity of [CHRNA3 protein binds to CHRNB4 protein] CTD PMID:16766716 NCBI chr 8:55,401,981...55,415,012
Ensembl chr 8:55,401,702...55,415,165
JBrowse link
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit multiple interactions ISO
EXP
Varenicline binds to and results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]
varenicline binds to Chrna4 protein; varenicline inhibits [alpha-conotoxin MII binds to Chrna4 protein] in rat brain striatal sections
Varenicline binds to and results in decreased activity of [CHRNA4 protein binds to CHRNB2 protein]
CTD PMID:16766716 PMID:20100906 PMID:20207347 PMID:20331614 PMID:20373480 More... RGD:8549526 NCBI chr 3:168,136,246...168,157,839
Ensembl chr 3:168,136,266...168,156,957
JBrowse link
G Chrna6 cholinergic receptor nicotinic alpha 6 subunit multiple interactions
affects binding
EXP Varenicline binds to and results in increased activity of CHRNA6 protein
Varenicline inhibits the reaction [alpha-Conotoxin MII binds to Chrna6]; Varenicline inhibits the reaction [epibatidine binds to Chrna6].
Varenicline binds to Chrna6 protein
CTD PMID:16766716 PMID:22550286 PMID:22550286 RGD:8549526, RGD:8549526 NCBI chr16:64,697,741...64,704,441
Ensembl chr16:64,697,741...64,704,441
JBrowse link
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit multiple interactions EXP Varenicline binds to and results in increased activity of [CHRNA7 protein binds to CHRNA7 protein] CTD PMID:16766716 NCBI chr 1:116,715,286...116,837,223
Ensembl chr 1:116,714,711...116,837,240
JBrowse link
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit multiple interactions ISO
EXP
Varenicline binds to and results in decreased activity of [CHRNA4 protein binds to CHRNB2 protein]
Varenicline binds to and results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]; Varenicline binds to and results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]
CTD PMID:16766716 PMID:20100906 PMID:20207347 PMID:20331614 PMID:20373480 More... NCBI chr 2:175,181,402...175,189,619
Ensembl chr 2:175,181,402...175,189,619
JBrowse link
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit multiple interactions EXP Varenicline binds to and results in increased activity of [CHRNA3 protein binds to CHRNB4 protein] CTD PMID:16766716 NCBI chr 8:55,418,379...55,436,967
Ensembl chr 8:55,418,313...55,437,027
JBrowse link
G Mapk1 mitogen activated protein kinase 1 increases phosphorylation
multiple interactions
decreases activity
ISO Varenicline results in increased phosphorylation of MAPK1 protein
methyllycaconitine inhibits the reaction [Varenicline results in increased phosphorylation of MAPK1 protein]
Varenicline results in decreased activity of MAPK1 protein
CTD PMID:28202387 PMID:28842382 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
JBrowse link
G Mapk3 mitogen activated protein kinase 3 increases phosphorylation
decreases activity
multiple interactions
ISO Varenicline results in increased phosphorylation of MAPK3 protein
Varenicline results in decreased activity of MAPK3 protein
methyllycaconitine inhibits the reaction [Varenicline results in increased phosphorylation of MAPK3 protein]
CTD PMID:28202387 PMID:28842382 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Olr1 oxidized low density lipoprotein receptor 1 increases expression
multiple interactions
ISO Varenicline results in increased expression of OLR1 mRNA; Varenicline results in increased expression of OLR1 protein
methyllycaconitine inhibits the reaction [Varenicline results in increased expression of OLR1 mRNA]; methyllycaconitine inhibits the reaction [Varenicline results in increased expression of OLR1 protein]
CTD PMID:28202387 NCBI chr 4:162,926,436...162,949,057
Ensembl chr 4:162,926,439...162,948,523
JBrowse link
G Pon1 paraoxonase 1 decreases activity ISO Varenicline results in decreased activity of PON1 protein CTD PMID:31581362 NCBI chr 4:33,294,737...33,325,759
Ensembl chr 4:33,294,722...33,321,360
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit increases phosphorylation
multiple interactions
ISO Varenicline results in increased phosphorylation of RELA protein
methyllycaconitine inhibits the reaction [Varenicline results in increased phosphorylation of RELA protein]
CTD PMID:28202387 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link
G Slc22a2 solute carrier family 22 member 2 affects response to substance ISO SLC22A2 gene SNP affects the susceptibility to Varenicline CTD PMID:25143296 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19757
      biological role 19757
        pharmacological role 18838
          neurotransmitter agent 16452
            serotonergic drug 3980
              serotonergic agonist 983
                varenicline 15
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
                    main group molecular entity 19704
                      s-block molecular entity 19489
                        hydrogen molecular entity 19484
                          hydrides 18841
                            inorganic hydride 17688
                              pnictogen hydride 17669
                                nitrogen hydride 17542
                                  azane 17278
                                    ammonia 17277
                                      organic amino compound 17277
                                        secondary amino compound 6587
                                          varenicline 15
paths to the root