Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06BTF
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| Former ID |
DCL000034
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| Drug Name |
Almorexant
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| Synonyms |
Almorexant [INN]; ACT-078573; (2R)-2-((1S)-6,7-dimethoxy-1-{2-(4-(trifluoromethyl)phenyl)ethyl}-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide
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| Drug Type |
Small molecular drug
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| Indication | Insomnia [ICD-11: 7A00-7A0Z] | Terminated | [1], [2] | |
| Sleep-wake disorder [ICD-11: 7A00-7B2Z] | Terminated | [1], [2] | ||
| Company |
Actelion Pharma.
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H31F3N2O3
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| Canonical SMILES |
CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC
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| InChI |
1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
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| InChIKey |
DKMACHNQISHMDN-RPLLCQBOSA-N
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| CAS Number |
CAS 871224-64-5
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Orexin receptor type 1 (HCRTR1) | Target Info | Antagonist | [3], [4] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | G alpha (q) signalling events | |||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| 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: 2886). | |||
| REF 2 | Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36. | |||
| REF 3 | Biochemical and electrophysiological characterization of almorexant, a dual orexin 1 receptor (OX1)/orexin 2 receptor (OX2) antagonist: comparison ... Mol Pharmacol. 2009 Sep;76(3):618-31. | |||
| REF 4 | Blockade of orexin-1 receptors attenuates orexin-2 receptor antagonism-induced sleep promotion in the rat. J Pharmacol Exp Ther. 2009 Jul;330(1):142-51. | |||
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