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 8.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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
Database Links
CAS Registry No. 871224-64-5 (source: Scifinder)
ChEMBL Ligand CHEMBL455136
PubChem CID 23727689
Search Google for chemical match using the InChIKey DKMACHNQISHMDN-RPLLCQBOSA-N
Search Google for chemicals with the same backbone DKMACHNQISHMDN
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Wikipedia Almorexant
Comments
Almorexant (ACT-078573) is an investigational, oral, dual orexin receptor antagonist (DORA) [1]. Development of ACT-078573 was ceased in 2011, apparently because of the compound's side-effect profile.