SUVOREXANT

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05CM19
UNII 081L192FO9
EPA CompTox DTXSID90145616

Structure

InChI Key JYTNQNCOQXFQPK-MRXNPFEDSA-N
Smiles Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23ClN6O2
Molecular Weight 450.93
AlogP 4.11
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 80.29
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Orexin receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Orexin receptor
- 0.4-199 - 0.35-11.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-199 - 0.35-11.8 -
Mus musculus
- - - 1.698-8.71 -

Cross References

Resources Reference
ChEBI 82698
ChEMBL CHEMBL1083659
DrugBank DB09034
DrugCentral 4881
FDA SRS 081L192FO9
Guide to Pharmacology 2890
PDB SUV
PubChem 24965990
SureChEMBL SCHEMBL1586289
ZINC ZINC000049036447
CONTENTS