DARIDOREXANT

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Synonyms
Status
Molecule Category Free-form
UNII LMQ24G57E9

Structure

InChI Key NBGABHGMJVIVBW-QHCPKHFHSA-N
Smiles COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1
InChI
InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23ClN6O2
Molecular Weight 450.93
AlogP 4.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 88.93
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Orexin receptor antagonist ANTAGONIST PubMed PubMed
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
- - - 1.259-1.585 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 1.259-1.585 -

Cross References

Resources Reference
ChEMBL CHEMBL4297590
DrugBank DB15031
FDA SRS LMQ24G57E9
PDB NS2
SureChEMBL SCHEMBL16778804
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