Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1151)
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
Indication Hypertriglyceridaemia [ICD11: 5C80] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 109.13 Topological Polar Surface Area 33.1
Heavy Atom Count 8 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
7510
ChEBI ID
CHEBI:45213
CAS Number
100-55-0
Formula
C6H7NO
Canonical SMILES
C1=CC(=CN=C1)CO
InChI
1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey
MVQVNTPHUGQQHK-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Nicotinic acid DM003548
938
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004350 Nicotinyl alcohol Nicotinic acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
References
1 Medical Dictionary Online database.
2 Stability of the nicotine metabolite ratio in ad libitum and reducing smokers. Cancer Epidemiol Biomarkers Prev. 2008 Jun;17(6):1396-400.
3 Antihyperlipidemic properties of beta-pyridylcarbinol. A review of preclinical studies

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