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almorexant | Ligand page | IUPHAR/BPS Guide to PHARMACOLOGY

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almorexant

Ligand id: 2886

Name: almorexant

Structure and Physico-chemical Properties

2D Structure Calculated Physico-chemical Properties Hydrogen bond acceptors 3 Hydrogen bond donors 1 Rotatable bonds 10 Topological polar surface area 50.8 Molecular weight 512.23 XLogP 5.18 No. Lipinski's rules broken 1

Molecular properties generated using the

Classification Compound class Synthetic organic IUPAC Name (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide International Nonproprietary Names INN number INN 8913 almorexant Synonyms ACT-078573 Comments Almorexant (ACT-078573) is an investigational, oral, dual orexin receptor antagonist (DORA) []. Development of ACT-078573 was ceased in 2011, apparently because of the compound's side-effect profile. Database Links CAS Registry No. 871224-64-5 (source: Scifinder) ChEMBL Ligand CHEMBL455136 GtoPdb PubChem SID 135649893 PubChem CID 23727689 Search Google for chemical match using the InChIKey DKMACHNQISHMDN-RPLLCQBOSA-N Search Google for chemicals with the same backbone DKMACHNQISHMDN Search PubMed clinical trials almorexant Search PubMed titles almorexant Search PubMed titles/abstracts almorexant Search UniChem for chemical match using the InChIKey DKMACHNQISHMDN-RPLLCQBOSA-N Search UniChem for chemicals with the same backbone DKMACHNQISHMDN Wikipedia Almorexant

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