NAV

Opiranserin

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

Identification

Generic Name
Opiranserin
DrugBank Accession Number
DB16271
Background

Opiranserin is under investigation in clinical trial NCT03997838 (Evaluate the Efficacy and Safety of VVZ-149 Injections for the Treatment of Post-operative Pain Following Abdominoplasty).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 394.512
Monoisotopic: 394.246772203
Chemical Formula
C21H34N2O5
Synonyms
  • Opiranserin
  • Vvz-149 free base
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
AP031EC2NI
CAS number
1441000-45-8
InChI Key
JQUVQWMHZSYCRQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)
IUPAC Name
4-butoxy-N-{[4-(dimethylamino)oxan-4-yl]methyl}-3,5-dimethoxybenzamide
SMILES
CCCCOC1=C(OC)C=C(C=C1OC)C(=O)NCC1(CCOCC1)N(C)C

References

General References
Not Available
ChemSpider
64835236
BindingDB
50459963
ChEMBL
CHEMBL4228903
Wikipedia
Opiranserin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAcute Pain / Postoperative pain1
3CompletedTreatmentPostoperative pain1
2CompletedTreatmentPostoperative pain3

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 Solubility0.109 mg/mLALOGPS
logP2.13ALOGPS
logP1.8Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)14.34Chemaxon
pKa (Strongest Basic)9.11Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area69.26 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity109.68 m3·mol-1Chemaxon
Polarizability44.82 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4j-2709000000-87de9292cae4d8202134
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0109000000-0983609c9c7cf40221be
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000m-1649000000-7f019084a317e021615f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a5l-0219000000-6ea71c866de5c836f216
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000g-7967000000-9cffc0533566e4f90494
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-6269000000-7b6f0471de4ad613e525
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55