Drug Information

General Information
Drug ID
DR00337
Drug Name
N-methylpyridinium
Synonyms
1-Methyl-Pyridinium; 1-Methylpyridin-1-ium; 1-Methylpyridinium; N-Methylpyridinium; Pyridinium, 1-methyl-
Drug Type
Small molecular drug
Indication Colon cancer [ICD11:2B90.Z] Preclinical [1]
Therapeutic Class
Anticancer Agents
Structure
3D MOL 2D MOL
Formula
C6H8N+
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
Pharmaceutical Properties Molecular Weight 94.13 Topological Polar Surface Area 3.9
Heavy Atom Count 7 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
XLogP
1.5
PubChem CID
13597
ChEBI ID
ChEBI:15761
DT(s) Transporting This Drug 1-Oct Transporter Info Organic cation transporter 1 Substrate [2]
2-Oct Transporter Info Organic cation transporter 2 Substrate [3]
3-Oct Transporter Info Organic cation transporter 3 Substrate [4]
MATE1 Transporter Info Multidrug and toxin extrusion protein 1 Substrate [5]
MATE2 Transporter Info Multidrug and toxin extrusion protein 2 Substrate [5]
Drug-Transporter Activity Data
Drug-Transporter Activity Data 1-Oct Transporter Info Km =21 microM Madin-Darby canine kidney cells (MDCKII)-OCT1 [2]
1-Oct Transporter Info Km =14.6 microM Oocytes-OCT1 [6]
2-Oct Transporter Info Km =16 microM Human embryonic kidney cells (HEK293)-OCT2 [7]
2-Oct Transporter Info Km =19.5 microM Human embryonic kidney cells (HEK293)-OCT2 [8]
2-Oct Transporter Info Km =19.5 microM Human embryonic kidney cells (HEK293)-OCT2 [3]
2-Oct Transporter Info Km =19 microM Oocytes-OCT2 [9]
3-Oct Transporter Info Km =47 microM Human retinal pigment epithelial (HRPE) cells-OCT3 [4]
MATE1 Transporter Info Km =16 microM Human embryonic kidney cells (HEK293)-MATE1 [10]
MATE1 Transporter Info Km =100 microM Human embryonic kidney cells (HEK293)-MATE1 [5]
MATE2 Transporter Info Km =93.5 microM Human embryonic kidney cells (HEK293)-MATE2K [11]
MATE2 Transporter Info Km =110 microM Human embryonic kidney cells (HEK293)-MATE2K [5]
References
1 Wikipedia: Methylpyridinium
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 Functional characterization of the human organic cation transporter 2 variant p.270Ala>Ser. Drug Metab Dispos. 2009 Jun;37(6):1312-8.
4 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.
5 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.
6 Cloning and functional expression of a human liver organic cation transporter. Mol Pharmacol. 1997 Jun;51(6):913-21.
7 Human neurons express the polyspecific cation transporter hOCT2, which translocates monoamine neurotransmitters, amantadine, and memantine. Mol Pharmacol. 1998 Aug;54(2):342-52.
8 Structural determinants of inhibitor interaction with the human organic cation transporter OCT2 (SLC22A2). Naunyn Schmiedebergs Arch Pharmacol. 2009 Apr;379(4):337-48.
9 Cloning and characterization of two human polyspecific organic cation transporters. DNA Cell Biol. 1997 Jul;16(7):871-81.
10 A human transporter protein that mediates the final excretion step for toxic organic cations. Proc Natl Acad Sci U S A. 2005 Dec 13;102(50):17923-8.
11 Identification and functional characterization of a new human kidney-specific H+/organic cation antiporter, kidney-specific multidrug and toxin extrusion 2. J Am Soc Nephrol. 2006 Aug;17(8):2127-35.

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