Details of the Drug

General Information of Drug (ID: DMYOLEV)

• Drug Name: D-ribosylnicotinate
• Synonyms: D-ribosylnicotinate; Beta-D-ribosylnicotinate; Nicotinate ribonucleoside; Nicotinate ribose; Nicotinate riboside; Nicotinic Riboside; Nicotinic acid ribonucleoside; beta-D-Ribosylnicotinate; nicotinic acid ribose; nicotinic acid riboside; ribosylnicotinate; 1-(; 1-(beta-D-ribofuranosyl)pyridinium-3-carboxylate; 1-Pentofuranosylpyridin-1-ium-3-carboxylate; 17720-18-2; 3-Carboxy-1-; A-D-ribofuranosylpyridinium Inner Salt; A-d-ribofuranosyl)pyridinium-3-carboxylate; AC1L4P1J; AC1Q22CH; CHEBI:58527; DTXSID20938912; SCHEMBL20152239
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 255.22
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C11H13NO6
  IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate
  Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)[O-]
  InChI: PUEDDPCUCPRQNY-ZYUZMQFOSA-N
  InChIKey: 1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
• Cross-matching ID:
  PubChem CID: 161233
  ChEBI ID: CHEBI:58527
  CAS Number: 17720-18-2
  INTEDE ID: DR2074

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Nicotinamide riboside kinase 1 (NRK1)	DENV24I	NRK1_HUMAN	Substrate	[1]
Nicotinamide riboside kinase 2 (NRK2)	DE8DJ3N	NRK2_HUMAN	Substrate	[1]

References

• [1] Nicotinamide riboside kinase structures reveal new pathways to NAD+. PLoS Biol. 2007 Oct 2;5(10):e263.