Details of the Drug

General Information of Drug (ID: DMVUKEW)

Drug Name
N-methylpyridinium
Synonyms 1-Methyl-Pyridinium; 1-Methylpyridin-1-ium; 1-Methylpyridinium; N-Methylpyridinium; Pyridinium, 1-methyl-
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 94.137
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C6H8N+
IUPAC Name
1-methylpyridin-1-ium
Canonical SMILES
C[N+]1=CC=CC=C1
InChI
InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1
InChIKey
PQBAWAQIRZIWIV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13597
ChEBI ID
ChEBI:15761
VARIDT ID
DR00337

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation transporter 3 (SLC22A3) DT6201N S22A3_HUMAN Substrate [1]
Organic cation transporter 1 (SLC22A1) DTT79CX S22A1_HUMAN Substrate [2]
Multidrug and toxin extrusion protein 2 (SLC47A2) DT3TX4H S47A2_HUMAN Substrate [3]
Multidrug and toxin extrusion protein 1 (SLC47A1) DTZGT0P S47A1_HUMAN Substrate [3]
Organic cation transporter 2 (SLC22A2) DT9IDPW S22A2_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure, function, and regional distribution of the organic cation transporter OCT3 in the kidney. Am J Physiol Renal Physiol. 2000 Sep;279(3):F449-58.
2 Interaction of oral antidiabetic drugs with hepatic uptake transporters: focus on organic anion transporting polypeptides and organic cation transporter 1. Diabetes. 2008 Jun;57(6):1463-9.
3 Substrate specificity of MATE1 and MATE2-K, human multidrug and toxin extrusions/H(+)-organic cation antiporters. Biochem Pharmacol. 2007 Jul 15;74(2):359-71.
4 Functional characterization of the human organic cation transporter 2 variant p.270Ala>Ser. Drug Metab Dispos. 2009 Jun;37(6):1312-8.