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
CHEMBL15761
VARIDT ID
DR00337
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.