Details of the Drug

General Information of Drug (ID: DM1ITJ5)

• Drug Name: Decyltrimethylammonium
• Synonyms: Decyltrimethylammonium; Trimethyldecylammonium; 15053-09-5; n-decyltrimethylammonium; CHEBI:55325; Ammonium, decyltrimethyl-; Decyltrimethylaminium; decyl(trimethyl)azanium; trimethyl-n-decylammonium; decyltrimethylammonium ion; AC1L27UL; SCHEMBL363068; N,N,N-trimethyldecan-1-aminium; N,N,N-trimethyl-1-decanaminium; CHEMBL1180301; 2082-84-0 (bromide); CTK4C6688; 10108-87-9 (chloride); DTXSID10164566; 1-Decanaminium,N,N,N-trimethyl-; 1-Decanaminium, N,N,N-trimethyl-; ZINC1700269; MCULE-3384760582; 65059-98-5 (methyl sulfate salt)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 200.38
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C13H30N+
  IUPAC Name: decyl(trimethyl)azanium
  Canonical SMILES: CCCCCCCCCC[N+](C)(C)C
  InChI: InChI=1S/C13H30N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h5-13H2,1-4H3/q+1
  InChIKey: RKMJXTWHATWGNX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16389
  ChEBI ID: CHEBI:55325
  CAS Number: 15053-09-5
  TTD ID: D0K3SI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Permeability pathway (NP pathway)	TTT1MCF	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.