Details of the Drug

General Information of Drug (ID: DMJBYSE)

Drug Name

Nicotinamide riboside

Synonyms

nicotinamide riboside; nicotinamide ribose; nicotinamide-beta-riboside; nicotinamide ribonucleoside; N-ribosylnicotinamide; 1341-23-7; ribosylnicotinamide; 1-(beta-D-Ribofuranosyl)nicotinamide; UNII-0I8H2M0L7N; 0I8H2M0L7N; CHEBI:15927; 3-Carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium; SRT647; SRT-647; SRT 647; N-ribosyl-nicotinamide; AC1L98BO; beta-nicotinamide D-riboside; SCHEMBL938611; N-Ribosyl-Nicotinamide New; Pyridinium, 3-(aminocarbonyl)-1-beta-D-ribofuranosyl-; CHEMBL43849

Indication

Disease Entry	ICD 11	Status	REF
Mitochondrial myopathy	8C73	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

255.25

Logarithm of the Partition Coefficient (xlogp)

-1.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C11H15N2O5+
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide
Canonical SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
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
InChIKey: JLEBZPBDRKPWTD-TURQNECASA-O

Cross-matching ID

PubChem CID: 439924
ChEBI ID: CHEBI:15927
CAS Number: 1341-23-7
UNII: 0I8H2M0L7N
DrugBank ID: DB14933
TTD ID: D0SI9L
INTEDE ID: DR1924

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Quinone reductase 2 (NQO2)_{Main DME}	DEUATVX	NQO2_HUMAN	Substrate	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Ribosyldihydronicotinamide dehydrogenase (NQO2)	OTGDAJRZ	NQO2_HUMAN	Biotransformations	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	Insights into the redox cycle of human quinone reductase 2. Free Radic Res. 2011 Oct;45(10):1184-95.
3	Old and new inhibitors of quinone reductase 2. Chem Biol Interact. 2010 Jul 30;186(2):103-9. doi: 10.1016/j.cbi.2010.04.006. Epub 2010 May 4.