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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 1:80,612,894...80,616,820
Ensembl chr 1:80,612,895...80,617,057
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 4:14,150,309...14,191,498
Ensembl chr 4:14,001,761...14,249,749
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 chr19:1,025,122...1,074,333
Ensembl chr19:1,023,683...1,074,365
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 8:59,594,007...59,607,122
Ensembl chr 8:59,592,403...59,607,275
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 and results in decreased activity of [CHRNA4 protein binds to CHRNB2 protein]
CTD PMID:16766716, PMID:20100906, PMID:20207347, PMID:20331614, PMID:20373480, PMID:20388087 NCBI chr 3:176,533,182...176,547,965
Ensembl chr 3:176,527,516...176,548,208
JBrowse link
G Chrna6 cholinergic receptor nicotinic alpha 6 subunit multiple interactions EXP Varenicline binds to and results in increased activity of CHRNA6 protein CTD PMID:16766716 NCBI chr16:68,860,018...68,866,718
Ensembl chr16:68,860,018...68,866,718
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 1:123,897,341...124,039,263
Ensembl chr 1:123,899,657...124,039,196
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, PMID:20388087 NCBI chr 2:189,088,570...189,096,785
Ensembl chr 2:189,088,570...189,096,785
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 8:59,610,489...59,629,073
Ensembl chr 8:59,609,693...59,629,133
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 chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
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 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
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 4:163,239,853...163,261,937
Ensembl chr 4:163,239,849...163,261,958
JBrowse link
G Pon1 paraoxonase 1 decreases activity ISO Varenicline results in decreased activity of PON1 protein CTD PMID:31581362 NCBI chr 4:30,249,749...30,276,297
Ensembl chr 4:30,249,742...30,276,372
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 1:220,992,770...221,003,249
Ensembl chr 1:220,992,770...221,003,249
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        pharmacological role 18797
          neurotransmitter agent 16425
            serotonergic drug 3957
              serotonergic agonist 978
                varenicline 15
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        secondary amino compound 6516
                                          varenicline 15
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.