Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y8UB
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| Former ID |
DCL000335
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| Drug Name |
Agomelatine
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| Synonyms |
Thymanax; Valdoxan; Agomelatine [INN]; AGO 178; AGO178; S 20098; S20098; AGO-178; Agomelatine(INN); S-20098; Valdoxan (TN); Valdoxan, Melitor, Thymanax, Agomelatine; N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide; N-(2-(7-Methoxy-1-naphthalenyl)ethyl)acetamide; N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide; N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide
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| Drug Type |
Small molecular drug
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| Indication | Major depressive disorder [ICD-11: 6A70.3; ICD-10: F32.2] | Withdrawn from market | [1], [2] | |
| Company |
Servier
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| Structure |
 |
Download2D MOL |
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| Formula |
C15H17NO2
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| Canonical SMILES |
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
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| 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)
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| InChIKey |
YJYPHIXNFHFHND-UHFFFAOYSA-N
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| CAS Number |
CAS 138112-76-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7980554, 10219207, 12014766, 15121987, 17396749, 43137308, 47805575, 48029689, 48253997, 48329090, 49859801, 50597493, 53789947, 57333351, 58107135, 85175740, 85209276, 92720043, 99437046, 103171284, 103943227, 104379867, 109692881, 123121579, 124757110, 125163914, 125333716, 126620366, 126648120, 126667094, 126728359, 129806556, 131480735, 134338989, 135037533, 135588690, 135649906, 136340261, 136367368, 136368118, 136991142, 137228670, 137232583, 142374863, 144115558, 144160950, 152225873, 152258747, 152344557, 160647592
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| ChEBI ID |
CHEBI:134990
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| ADReCS Drug ID | BADD_D00050 | |||
| SuperDrug ATC ID |
N06AX22
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Agonist | [3] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Circadian entrainment | ||||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 198). | |||
| REF 2 | Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92. | |||
| REF 3 | Melatonin receptor agonists: SAR and applications to the treatment of sleep-wake disorders. Curr Top Med Chem. 2008;8(11):954-68. | |||
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