suvorexant

Ligand id: 2890

Name: suvorexant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 80.29
Molecular weight 450.16
XLogP 4.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2014))
IUPAC Name
[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
International Nonproprietary Names
INN number INN
9435 suvorexant
Synonyms
Belsomra®
DORA-analogue
MK 4305
MK-4305
Database Links
BindingDB Ligand 50318701
CAS Registry No. 1030377-33-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1083659
PubChem CID 24965990
RCSB PDB Ligand SUV
Search Google for chemical match using the InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N
Search Google for chemicals with the same backbone JYTNQNCOQXFQPK
Search PubMed clinical trials suvorexant
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Wikipedia Suvorexant
Comments
Suvorexant is the first approved orexin receptor antagonist drug. It is non-selective, being an equipotent antagonist of OX1 and OX2. The acronym for dual orexin receptor antagonist compounds/drugs is DORA.