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
Search PubMed titles suvorexant
Search PubMed titles/abstracts suvorexant
Search UniChem for chemical match using the InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone JYTNQNCOQXFQPK
SynPHARM 6603 (in complex with OX1 receptor)
6604 (in complex with OX2 receptor)
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.