Nemorexant

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates
Name
Nemorexant
Accession Number
DB15031
Type
Small Molecule
Groups
Investigational
Description

Nemorexant is under investigation in clinical trial NCT03101189 (A Study of ACT-541468 in Healthy Japanese and Caucasian Subjects).

Structure
Thumb
Synonyms
  • ACT-541468
Categories
Not Available
UNII
LMQ24G57E9
CAS number
1505484-82-1
Weight
Average: 450.93
Monoisotopic: 450.1571017
Chemical Formula
C23H23ClN6O2
InChI Key
NBGABHGMJVIVBW-QHCPKHFHSA-N
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
IUPAC Name
5-chloro-2-[(2S)-1-[5-methoxy-2-(2H-1,2,3-triazol-2-yl)benzoyl]-2-methylpyrrolidin-2-yl]-4-methyl-1H-1,3-benzodiazole
SMILES
COC1=CC(C(=O)N2CCC[C@@]2(C)C2=NC3=C(N2)C=CC(Cl)=C3C)=C(C=C1)N1N=CC=N1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
64854514
HET
NS2
Wikipedia
Nemorexant
PDB Entries
6tp3

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedOtherHealthy Volunteers8
1CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
1CompletedTreatmentHealthy Recreational Drug Users1
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentOSAS (Obstructive Sleep Apneas Syndrome)1
1Not Yet RecruitingTreatmentHepatic Impairment1
1RecruitingOtherHealthy Volunteers / Impaired kidney function1
1RecruitingOtherHepatic Impairment1
2CompletedTreatmentInsomnia Disorder2
3Active Not RecruitingTreatmentInsomnia Disorder1
3RecruitingTreatmentInsomnia Disorder2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0112 mg/mLALOGPS
logP3.73ALOGPS
logP3.04ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.8ChemAxon
pKa (Strongest Basic)5.06ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area88.93 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity133.7 m3·mol-1ChemAxon
Polarizability45.6 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:43 / Updated on November 02, 2019 03:29