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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


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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 3:100,768,637...100,819,216
Ensembl chr 3:100,768,637...100,819,210
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 chr10:56,625,845...56,655,543
Ensembl chr10:56,627,411...56,653,599
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:118,084,520...118,318,040
Ensembl chr  X:118,084,890...118,318,039
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 9:73,204,753...73,462,965
Ensembl chr 9:73,319,710...73,462,972
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 chr16:50,339,358...50,358,809
Ensembl chr16:50,339,358...50,358,809
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 8:14,359,270...14,373,894
Ensembl chr 8:14,359,270...14,373,894
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 chr18:31,728,373...32,704,022
Ensembl chr18:31,728,373...31,749,647
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 chr10:82,800,704...82,816,735
Ensembl chr10:82,800,704...82,816,731
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 7:45,328,207...45,381,920
Ensembl chr 7:45,328,105...45,382,229
JBrowse link
G Syp synaptophysin increases expression EXP S 20098 results in increased expression of SYP protein CTD PMID:22160164 NCBI chr  X:15,694,699...15,709,244
Ensembl chr  X:15,695,566...15,707,436
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    chemical entity 19853
      atom 19851
        nonmetal atom 19733
          nitrogen atom 18620
            nitrogen molecular entity 18620
              organonitrogen compound 18395
                carboxamide 17166
                  acetamides 12401
                    agomelatine 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        carboacyl group 17383
                                          univalent carboacyl group 17383
                                            carbamoyl group 17166
                                              carboxamide 17166
                                                acetamides 12401
                                                  agomelatine 10
paths to the root