NAV

Danavorexton

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

Identification

Generic Name
Danavorexton
DrugBank Accession Number
DB16962
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 424.56
Monoisotopic: 424.203193312
Chemical Formula
C21H32N2O5S
Synonyms
  • 1-piperidinecarboxylic acid, 3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)-, methyl ester, (2r,3s)-
  • Methyl (2r,3s)-3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)piperidine-1-carboxylate
  • Methyl (2R,3S)-3-[(Methylsulfonyl)Amino]-2-{[(Cis-4-Phenylcyclohexyl)Oxy]Methyl}Piperidine-1-Carboxylate
External IDs
  • TAK-925
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Pharmacology

Indication

Not Available

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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

Adverse Effects
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Toxicity

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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1QMD83K4YN
CAS number
2114324-48-8
InChI Key
UXZAJSZFFARTEI-YRPNKDGESA-N
InChI
InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1
IUPAC Name
methyl (2R,3S)-3-methanesulfonamido-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate
SMILES
COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
68011464
BindingDB
386067
ChEMBL
CHEMBL4650341
PDBe Ligand
A6F
Wikipedia
Danavorexton
PDB Entries
7sqo / 7sr8

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingOtherSleep Apnea1
1CompletedOtherHealthy Participants and Patients With Narcolepsy1
1CompletedOtherHealthy Volunteers (HV)2
1CompletedTreatmentHealthy Volunteers (HV) / Narcolepsy1
1CompletedTreatmentIdiopathic Hypersomnia1

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 Solubility0.0181 mg/mLALOGPS
logP2.44ALOGPS
logP2.25Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)10.3Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.94 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity110.46 m3·mol-1Chemaxon
Polarizability45.43 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 14, 2022 23:16 / Updated at December 01, 2022 11:33