NAV

Nicotinamide riboside

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

Identification

Generic Name
Nicotinamide riboside
DrugBank Accession Number
DB14933
Background

Nicotinamide riboside is under investigation in clinical trial NCT03432871 (Nicotinamide Riboside and Mitochondrial Biogenesis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 255.2472
Monoisotopic: 255.0980966
Chemical Formula
C11H15N2O5
Synonyms
Not Available
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0I8H2M0L7N
CAS number
1341-23-7
InChI Key
JLEBZPBDRKPWTD-TURQNECASA-O
InChI
InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1
IUPAC Name
3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

References

General References
Not Available
Human Metabolome Database
HMDB0000855
KEGG Compound
C03150
ChemSpider
388956
ChEBI
15927
ChEMBL
CHEMBL438497
ZINC
ZINC000004096036
PDBe Ligand
NNR
Wikipedia
Nicotinamide_riboside
PDB Entries
2qt0 / 2qt1 / 4qtn / 6gye / 8hb3

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentCoronavirus Disease 2019 (COVID‑19) / Sequelae of; Infection / Symptoms, Cognitive1
4RecruitingOtherAging1
4TerminatedTreatmentHealthy Volunteers (HV)1
3CompletedTreatmentPeripheral Arterial Disease (PAD)1
2Active Not RecruitingPreventionAcute Kidney Injury (AKI)1

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 Solubility5.45 mg/mLALOGPS
logP-2.3ALOGPS
logP-6.1Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)11.39Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area116.89 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity60.83 m3·mol-1Chemaxon
Polarizability24.83 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-070f-9530000000-71d9e02ee640bb800185
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-169.2093506
predicted
DarkChem Lite v0.1.0
[M-H]-169.0088506
predicted
DarkChem Lite v0.1.0
[M-H]-152.02425
predicted
DeepCCS 1.0 (2019)
[M+H]+169.4307506
predicted
DarkChem Lite v0.1.0
[M+H]+170.3448506
predicted
DarkChem Lite v0.1.0
[M+H]+154.41982
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.3711506
predicted
DarkChem Lite v0.1.0
[M+Na]+169.3188506
predicted
DarkChem Lite v0.1.0
[M+Na]+161.09773
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:36 / Updated at June 12, 2020 16:53