Details of the Drug

General Information of Drug (ID: DMUPMCZ)

Drug Name
Dodecane-Trimethylamine
Synonyms
DODECANE-TRIMETHYLAMINE; n-Dodecyltrimethylammonium; Dotac compound; Dodecyltrimethylammonium; N,N,N-trimethyldodecan-1-aminium; UNII-GT3793XV5S; 10182-91-9; DODECYLTRIMETHYLAMMONIUM ION; N,N,N-Trimethyl-1-dodecanaminium; dodecyl(trimethyl)azanium; GT3793XV5S; CHEBI:41378; 1-Dodecanaminium, N,N,N-trimethyl-; CHEMBL109873; Lauryltrimethylaminium; dodecyl-trimethyl-azanium; AC1L1QDV; dodecyl(trimethyl)ammonium; AC1Q28RJ; SCHEMBL93498; 112-00-5 (chloride); DTXSID4045008; CHEMBL1180004; 1119-94-4 (bromide); CTK4A0283
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): 2 Molecular Weight (mw) 228.44
Logarithm of the Partition Coefficient (xlogp) 5.9
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C15H34N+
IUPAC Name
dodecyl(trimethyl)azanium
Canonical SMILES
CCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKey
VICYBMUVWHJEFT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
8153
ChEBI ID
CHEBI:41378
CAS Number
10182-91-9
UNII
GT3793XV5S
DrugBank ID
DB02779
TTD ID
D0P7KP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein-tyrosine phosphatase SHP-2 (PTPN11) TT7WUAV PTN11_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.