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
Structure
3D MOL 2D MOL
#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
CHEMBL55325
CAS Number
15053-09-5
TTD ID
D0K3SI
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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