Drug Information
Drug General Information | Top | |||
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Drug ID |
D04BLO
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Former ID |
DIB019738
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Drug Name |
difluoroagomelatine
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Synonyms |
difluoroagomelatine; GTPL7776; CHEMBL1946221
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C15H15F2NO2
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Canonical SMILES |
COC1=CC2=C(C=CC=C2CCNC(=O)C(F)F)C=C1
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InChI |
1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)
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InChIKey |
UTLRQLQDJLNKNY-UHFFFAOYSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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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 | |||
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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: 7776). | |||
REF 2 | Design, synthesis and pharmacological evaluation of new series of naphthalenic analogues as melatoninergic (MT1/MT2) and serotoninergic 5-HT2C dual ligands (I). Eur J Med Chem. 2012 Mar;49:310-23. |
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