Nicotinamide riboside

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

Identification

Name
Nicotinamide riboside
Accession Number
DB14933
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
0I8H2M0L7N
CAS number
1341-23-7
Weight
Average: 255.2472
Monoisotopic: 255.0980966
Chemical Formula
C11H15N2O5
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

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
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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Not Yet RecruitingSupportive CareHigh Blood Pressure (Hypertension)1
1, 2RecruitingSupportive CareAcute Illness / Inflammatory Reaction1
1, 2RecruitingTreatmentDiabetic Peripheral Neuropathy (DPN)1
1, 2RecruitingTreatmentMild Cognitive Impairment (MCI)1
2Not Yet RecruitingPreventionSmall Fibre Neuropathy1
2RecruitingTreatmentAging / High Blood Pressure (Hypertension)1
2RecruitingTreatmentBlood Pressures / Kidney Diseases / Oxidative Stress / Vascular Diseases1
2RecruitingTreatmentChemotherapy-induced Peripheral Neuropathy (CIPN)1
2RecruitingTreatmentChemotherapy-induced Peripheral Neuropathy (CIPN) / Metastatic Breast Cancer / Platinum-resistant Recurrent Ovarian Cancer1
3RecruitingTreatmentPeripheral Artery Disease (PAD)1
4RecruitingTreatmentHealthy Volunteers1

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-e25d1beb47cb1fe9e4cb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-3090000000-03687e9ef697eda1d6c8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052g-9300000000-2755bde4df843d2227f2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-809be1146b2a2c8d96a7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1390000000-2fc72cf0619f182e044f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0k96-9300000000-4d5b96b192f3484b1b8a

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:36 / Updated on March 01, 2020 21:58

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