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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:agomelatine
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Accession:CHEBI:134990 term browser browse the term
Synonyms:related_synonym: Formula=C15H17NO2;   InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17);   InChIKey=YJYPHIXNFHFHND-UHFFFAOYSA-N;   S-20098;   S20098;   SMILES=COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1;   thymanax;   valdoxan
 xref: CAS:138112-76-2;   Drug_Central:99;   HMDB:HMDB0015636
 xref_mesh: MESH:C084711



show annotations for term's descendants           Sort by:
 
agomelatine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bdnf brain-derived neurotrophic factor increases expression EXP
ISO
S 20098 results in increased expression of BDNF protein
S 20098 results in increased expression of BDNF mRNA
CTD PMID:19775499 PMID:22160164 NCBI chr 3:96,165,042...96,215,621
Ensembl chr 3:96,165,042...96,215,615
JBrowse link
G Cat catalase multiple interactions EXP [S 20098 co-treated with Methotrexate] results in increased activity of CAT protein CTD PMID:31975554 NCBI chr 3:89,842,393...89,874,577
Ensembl chr 3:89,842,399...89,874,478
JBrowse link
G Csf3 colony stimulating factor 3 multiple interactions EXP S 20098 inhibits the reaction [Methotrexate results in increased expression of CSF3 protein] CTD PMID:31975554 NCBI chr10:83,660,787...83,664,569
Ensembl chr10:83,661,207...83,663,603
JBrowse link
G Dlg4 discs large MAGUK scaffold protein 4 increases expression EXP S 20098 results in increased expression of DLG4 protein CTD PMID:22160164 NCBI chr10:54,740,700...54,769,097
Ensembl chr10:54,739,470...54,767,153
JBrowse link
G Htr2c 5-hydroxytryptamine receptor 2C affects binding ISO S 20098 analog binds to HTR2C protein; S 20098 binds to HTR2C protein CTD PMID:22301214 NCBI chr  X:110,640,777...110,870,288
Ensembl chr  X:110,641,153...110,870,287
JBrowse link
G Map2 microtubule-associated protein 2 multiple interactions EXP S 20098 results in increased expression of and results in increased phosphorylation of MAP2 protein CTD PMID:22160164 NCBI chr 9:67,723,422...67,981,886
Ensembl chr 9:67,723,371...67,979,809
JBrowse link
G Mtnr1a melatonin receptor 1A multiple interactions
affects binding
ISO S 20098 analog binds to and results in increased activity of MTNR1A protein
S 20098 binds to MTNR1A protein
CTD PMID:11063602 PMID:22301214 NCBI chr16:47,144,461...47,163,919
Ensembl chr16:47,144,461...47,163,919
JBrowse link
G Mtnr1b melatonin receptor 1B multiple interactions
affects binding
ISO S 20098 analog binds to and results in increased activity of MTNR1B protein
S 20098 binds to MTNR1B protein
CTD PMID:11063602 PMID:22301214 NCBI chr 8:12,638,219...12,652,737
Ensembl chr 8:12,638,219...12,652,737
JBrowse link
G Nos2 nitric oxide synthase 2 multiple interactions EXP S 20098 inhibits the reaction [Methotrexate results in increased expression of NOS2 protein] CTD PMID:31975554 NCBI chr10:63,815,308...63,851,208
Ensembl chr10:63,815,308...63,851,210
JBrowse link
G Nr3c1 nuclear receptor subfamily 3, group C, member 1 increases expression ISO S 20098 results in increased expression of NR3C1 mRNA CTD PMID:19775499 NCBI chr18:31,271,681...31,393,320
Ensembl chr18:31,271,681...31,393,375
JBrowse link
G Ppp1r9b protein phosphatase 1, regulatory subunit 9B affects expression EXP S 20098 affects the expression of PPP1R9B protein CTD PMID:22160164 NCBI chr10:79,938,055...79,954,085
Ensembl chr10:79,938,066...79,954,083
JBrowse link
G Slc6a15 solute carrier family 6 member 15 multiple interactions ISO [Caffeine co-treated with S 20098] results in decreased expression of SLC6A15 mRNA CTD PMID:29882086 NCBI chr 7:38,553,055...38,607,239
Ensembl chr 7:38,553,196...38,607,239
JBrowse link
G Spp1 secreted phosphoprotein 1 multiple interactions EXP S 20098 inhibits the reaction [Methotrexate results in increased expression of SPP1 protein] CTD PMID:31975554 NCBI chr14:5,308,885...5,315,120
Ensembl chr14:5,308,885...5,315,162
JBrowse link
G Syp synaptophysin increases expression EXP S 20098 results in increased expression of SYP protein CTD PMID:22160164 NCBI chr  X:14,849,444...14,864,553
Ensembl chr  X:14,849,444...14,864,745
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      atom 19799
        nonmetal atom 19686
          nitrogen atom 18767
            nitrogen molecular entity 18767
              organonitrogen compound 18544
                carboxamide 17285
                  acetamides 12410
                    agomelatine 14
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                acetamides 12410
                                                  agomelatine 14
paths to the root