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
Accession: CHEBI:134990
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
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
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
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
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
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
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
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
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
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
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
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