DARIDOREXANT

Search structure
Synonyms:
Status: Approved (2022)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LMQ24G57E9

Structure
InChI Key NBGABHGMJVIVBW-QHCPKHFHSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Orexin receptor 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 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sleep Initiation and Maintenance Disorders 3 D007319 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Sleep Apnea, Obstructive 1 D020181 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Cross References

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