Details of the Drug

General Information of Drug (ID: DMO7M2N)

• Drug Name: Nicotinyl alcohol
• Synonyms: Nicotinic alcohol; Nicotinyl alcohol; NU-2121; Niltuvin (free base); Pyridine-3-carbinol; Pyridine-3-methanol; Pyridyl-3-carbinol; Pyridyl-3-methanol; Pyridylcarbinol; Pyridylmethanol; Ro-1-5155; Roniacol; beta-Picolyl alcohol; beta-Pyridinecarbinol; beta-Pyridylcarbinol; pyridin-3-ylmethanol; (Pyridin-3-yl)methanol; .beta.-Pyridylcarbinol; 100-55-0; 3-(Hydroxymethyl)pyridine; 3-Hydroxymethylpyridine; 3-PYRIDINEMETHANOL; 3-PYRIDINYLCARBINOL; 3-Picolyl alcohol; 3-Pyridinylmethanol; 3-Pyridylcarbinol; 3-Pyridylmethanol
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 109.13
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C6H7NO
  IUPAC Name: pyridin-3-ylmethanol
  Canonical SMILES: C1=CC(=CN=C1)CO
  InChI: MVQVNTPHUGQQHK-UHFFFAOYSA-N
  InChIKey: 1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
• Cross-matching ID:
  PubChem CID: 7510
  ChEBI ID: CHEBI:45213
  CAS Number: 100-55-0
  DrugBank ID: DB04145
  INTEDE ID: DR1151

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2A6 (CYP2A6) Main DME	DEJVYAZ	CP2A6_HUMAN	Substrate	[1]

References

• [1] Stability of the nicotine metabolite ratio in ad libitum and reducing smokers. Cancer Epidemiol Biomarkers Prev. 2008 Jun;17(6):1396-400.