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

General Information of Drug (ID: DR5329)
Drug Name
Nicorandil
Synonyms
Adancor; Dancor; Ikorel; Nicorandilum; Sigmart; Aventis Brand of Nicorandil; Aventis Pharma Brand of Nicorandil; Merck Brand of Nicorandil; Merck Lipha Sante Brand of Nicorandil; Nicorandil Aventis Brand; Nicorandil Merck Brand; Rhone Poulenc Rorer Brand of Nicorandil; SG 75; SG75; Ikorel (TN); Nicorandilum [INN-Latin]; RP-46417; Rhone-Poulenc Rorer Brand of Nicorandil; SG-75; Sigmart (TN); Nitrate, 2-Nicotinamidethyl; Nitrate, 2-Nicotinamidoethyl; N-(2-Hydroxyethyl)nicotinamide nitrate; Nicorandil (JP15/USAN/INN); Nicorandil [USAN:BAN:INN:JAN]; N-(2-Hydroxyethyl)nicotinamide nitrate (ester); N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide; 2 Nicotinamidethyl Nitrate; 2 Nicotinamidoethyl Nitrate; 2-(Nicotinamido)ethyl nitrat; 2-(Pyridine-3-carboxamido)ethyl Nitrate; 2-(pyridine-3-carbonylamino)ethyl nitrate; 2-Nicotinamidethyl Nitrate; 2-Nicotinamidoethyl nitrate; 2-[(pyridin-3-ylcarbonyl)amino]ethylnitrat
Indication Angina pectoris [ICD11: BA40] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 211.17 Topological Polar Surface Area 97
Heavy Atom Count 15 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
47528
ChEBI ID
CHEBI:31905
CAS Number
65141-46-0
TTD Drug ID
D0O2SR
Formula
C8H9N3O4
Canonical SMILES
C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)
InChIKey
LBHIOVVIQHSOQN-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
Alcohol metabolite DM018601 N. A. Unclear - Unclear 1 [2]
N-methylnicotinamide DM003972
64950
Unclear - Unclear 1 [2]
Nicorandil Metabolite M1 DM018600 N. A. Unclear - Unclear 1 [2]
Nicorandil Metabolite M2 DM015860
14129968
Unclear - Unclear 1 [2]
Nicotinamide (NAM) DM003547
936
Unclear - Unclear 1 [2]
Nicotinic acid DM003548
938
Unclear - Unclear 1 [2]
Nicotinuric acid DM003976
68499
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010725 Nicorandil Nicorandil Metabolite M1 Unclear - Unclear Unclear [2]
MR010726 Nicorandil Nicorandil Metabolite M2 Unclear - Unclear Unclear [2]
MR010727 Nicorandil Nicorandil Metabolite M3(N-methyl nicotinamide) Unclear - Unclear Unclear [2]
MR010728 Nicorandil Nicotinic acid Unclear - Unclear Unclear [2]
MR010729 Nicorandil Nicotinamide Unclear - Unclear Unclear [2]
MR010730 Nicorandil Nicotinuric acid Unclear - Unclear Unclear [2]
MR010731 Nicorandil Alcohol metabolite Unclear - Unclear Unclear [2]
⏷ Show the Full List of 7 MR(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2411).
2 Pharmacokinetics of nicorandil

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