Details of the Drug

General Information of Drug (ID: DMLEPYN)

• Drug Name: Tetramethylammonium Ion
• Synonyms: Tetramethylammonium; TETRAMETHYLAMMONIUM ION; tetramethylazanium; 51-92-3; N,N,N-trimethylmethanaminium; UNII-H0W55235FC; Tetramethylammonium octahydrotriborate; EINECS 235-626-5; CHEMBL46486; Methanaminium, N,N,N-trimethyl-, octahydrotriborate(1-); CHEBI:46020; Methanaminium, N,N,N-trimethyl-; H0W55235FC; Tetramethylammonium pentaiodide; Tetramethyl-Ammonium; Ammonium, (pentaiodide); AC1L1MEF; 19269-48-8; bmse000780; 64-20-0 (bromide); 75-59-2 (hydroxide); 75-57-0 (chloride); 75-58-1 (iodide); 12386-10-6; 373-68-2 (fluoride)

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 74.14
  Topological Polar Surface Area (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C4H12N+
  IUPAC Name: tetramethylazanium
  Canonical SMILES: C[N+](C)(C)C
  InChI: InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
  InChIKey: QEMXHQIAXOOASZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6380
  ChEBI ID: CHEBI:46020
  CAS Number: 51-92-3
  DrugBank ID: DB03095
  TTD ID: D0T9SK
  VARIDT ID: DR01474

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
UDP-glucose 4-epimerase (GALE)	TTGRHIB	GALE_HUMAN	Inhibitor	[1]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic cation transporter 1 (SLC22A1)	DTT79CX	S22A1_HUMAN	Substrate	[2]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Scintillation proximity assay for measuring uptake by the human drug transporters hOCT1, hOAT3, and hOATP1B1. Anal Biochem. 2007 Jul 15;366(2):117-25.
• [3] Are organic cation transporters capable of transporting prostaglandins? Naunyn Schmiedebergs Arch Pharmacol. 2005 Aug;372(2):125-30.
• [4] Cisplatin and oxaliplatin, but not carboplatin and nedaplatin, are substrates for human organic cation transporters (SLC22A1-3 and multidrug and toxin extrusion family). J Pharmacol Exp Ther. 2006 Nov;319(2):879-86.
• [5] Pharmacologic markers and predictors of responses to imatinib therapy in patients with chronic myeloid leukemia. Leuk Lymphoma. 2008 Apr;49(4):639-42.
• [6] Organic cation transporters are determinants of oxaliplatin cytotoxicity. Cancer Res. 2006 Sep 1;66(17):8847-57.
• [7] Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
• [8] Implications of genetic polymorphisms in drug transporters for pharmacotherapy. Cancer Lett. 2006 Mar 8;234(1):4-33.
• [9] Upregulation of histone acetylation reverses organic anion transporter 2 repression and enhances 5-fluorouracil sensitivity in hepatocellular carcinoma
• [10] Comparison of type I and type II organic cation transport by organic cation transporters and organic anion-transporting polypeptides. J Pharmacol Exp Ther. 2001 Jul;298(1):110-5.
• [11] Organic cation transporters and their pharmacokinetic and pharmacodynamic consequences. Drug Metab Pharmacokinet. 2008;23(4):243-53.
• [12] Influx Transport of Cationic Drug at the Blood-Retinal Barrier: Impact on the Retinal Delivery of Neuroprotectants. Biol Pharm Bull. 2017;40(8):1139-1145.
• [13] Identification of novel inhibitors of UDP-Glc 4'-epimerase, a validated drug target for african sleeping sickness. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5744-7.
• [14] Crystal structure of beta1,4-galactosyltransferase complex with UDP-Gal reveals an oligosaccharide acceptor binding site. J Mol Biol. 2002 Apr 26;318(2):491-502.
• [15] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.