Details of the Drug

General Information of Drug (ID: DMX5MAU)

Drug Name
Tetrabutylammonium Ion
Synonyms
Tetrabutylammonium; TETRABUTYLAMMONIUM ION; N,N,N-tributylbutan-1-aminium; UNII-CBU2X6BBJR; 1-Butanaminium, N,N,N-tributyl-; 10549-76-5; CBU2X6BBJR; CHEMBL1236196; CHEBI:45825; tetrabutylamine; tetrabutylazanium; tetrabutyammonium; tetrabutyl ammonium; tetrabutyl-ammonium; tetra-butylammonium; tetra-butyl ammonium; tetra butyl-ammonium; tetra-n-butylammonium; tetra-n-butyl ammonium; tetra(n-butyl)ammonium; TETRABUTHYLAMMONIUM; Bu4N+; tetra (n-butyl) ammonium; SCHEMBL22384; 429-41-4 (fluoride); 311-28-4 (iodide); 993-22-6 (azide)
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) 242.46
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C16H36N+
IUPAC Name
tetrabutylazanium
Canonical SMILES
CCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
InChIKey
DZLFLBLQUQXARW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16028
ChEBI ID
CHEBI:45825
CAS Number
10549-76-5
DrugBank ID
DB01851
TTD ID
D0K7LF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel (VGKC) TTYOMFZ NOUNIPROTAC 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.