Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03OGA
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| Former ID |
DIB018563
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| Drug Name |
2-methoxy-alpha,beta-didehydro-agomelatine
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| Synonyms |
CHEMBL2314259; 2-methoxy-alpha,beta-didehydro-agomelatine; GTPL7775; BDBM50425202
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C16H17NO3
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| Canonical SMILES |
CC(=O)NC=CC1=C(C=CC2=C1C=C(C=C2)OC)OC
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| InChI |
1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+
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| InChIKey |
HMYFXYOFPXZULT-CMDGGOBGSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Agonist | [2] |
| 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: 7775). | |||
| REF 2 | Synthesis of new N-(arylcyclopropyl)acetamides and N-(arylvinyl)acetamides as conformationally-restricted ligands for melatonin receptors. Bioorg Med Chem Lett. 2013 Jan 15;23(2):430-4. | |||
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