suvorexant   Click here for help

GtoPdb Ligand ID: 2890

Synonyms: Belsomra® | MK 4305 | MK-4305
Approved drug PDB Ligand
suvorexant is an approved drug (FDA (2014))
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 79.77
Molecular weight 450.16
XLogP 5.56
No. Lipinski's rules broken 1
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Canonical SMILES Cc1ccc(c(c1)C(=O)N1CCN(CCC1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1
Isomeric SMILES Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1
InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2014))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9435 suvorexant
Synonyms Click here for help
Belsomra® | MK 4305 | MK-4305
Database Links Click here for help
Specialist databases
GPCRdb Ligand suvorexant
Other databases
BindingDB Ligand 50318701
CAS Registry No. 1030377-33-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1083659
DrugCentral Ligand 4881
GtoPdb PubChem SID 135650615
PubChem CID 24965990
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
SynPHARM 6603 (in complex with OX1 receptor)
6604 (in complex with OX2 receptor)
UniChem Compound Search for chemical match using the InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N
UniChem Connectivity Search for chemical match using the InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N
Wikipedia Suvorexant