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]
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) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
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
CHEMBL15927
CAS Number
1341-23-7
UNII
0I8H2M0L7N
DrugBank ID
DB14933
TTD ID
D0SI9L
INTEDE ID
DR1924
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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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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.