Details of the Drug

General Information of Drug (ID: DMW1LKP)

• Drug Name: Nicotinamide mononucleotide
• Synonyms: Beta-NMN; Beta-Nicotinamide mononucleotide; Beta-Nicotinamide ribonucleotide; Nicotinamide D-ribonucleotide; Nicotinamide mononucleotide; Nicotinamide nucleotide; Nicotinamide ribonucleotide; Nicotinamide ribotide
• Therapeutic Class: Bone Density Conservation Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 334.221
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C11H15N2O8P
  IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N
  InChI: InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
  InChIKey: DAYLJWODMCOQEW-TURQNECASA-N
• Cross-matching ID:
  PubChem CID: 14180
  ChEBI ID: CHEBI:16171
  CAS Number: 1094-61-7
  DrugBank ID: DB03227
  VARIDT ID: DR00719

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Cation-chloride cotransporter 9 (SLC12A8)	DT0OA2B	S12A8_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Chimeric ERCC6-PGBD3 protein (ERCC6)	OT2QZKSF	ERPG3_HUMAN	Regulation of Drug Effects	[2]
Poly polymerase 1 (PARP1)	OT310QSG	PARP1_HUMAN	Regulation of Drug Effects	[3]
Polypeptide N-acetylgalactosaminyltransferase 1 (GALNT1)	OTO3RO36	GALT1_HUMAN	Gene/Protein Processing	[4]

References

• [1] Slc12a8 is a nicotinamide mononucleotide transporter. Nature Metabolismvolume 1, pages4757 (2019).
• [2] A high-fat diet and NAD(+) activate Sirt1 to rescue premature aging in cockayne syndrome. Cell Metab. 2014 Nov 4;20(5):840-855. doi: 10.1016/j.cmet.2014.10.005. Epub 2014 Nov 4.
• [3] Detection and pharmacological modulation of nicotinamide mononucleotide (NMN) in vitro and in vivo. Biochem Pharmacol. 2009 May 15;77(10):1612-20. doi: 10.1016/j.bcp.2009.02.017. Epub 2009 Mar 5.
• [4] Oxyresveratrol stimulates mucin production in an NAD+-dependent manner in human intestinal goblet cells. Food Chem Toxicol. 2018 Aug;118:880-888.