Details of the Drug

General Information of Drug (ID: DMUPK6G)

Drug Name
triethylcholine
Synonyms
Triethylcholine; UNII-9B2PFY5LLZ; 9B2PFY5LLZ; triethyl(2-hydroxyethyl)azanium; 302-61-4; CHEMBL555023; Triethylaminoethanol; Triethyl (2-hydroxyethyl)ammonium chloride; AC1L2YNS; 152-22-7 (chloride); SCHEMBL476985; GTPL4760; CHEMBL318993; 5957-17-5 (iodide); ZINC394634; BDBM50366913; MCULE-9715160196; Ethanaminium, N,N,N-triethyl-2-hydroxy-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 146.25
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C8H20NO+
IUPAC Name
triethyl(2-hydroxyethyl)azanium
Canonical SMILES
CC[N+](CC)(CC)CCO
InChI
InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1
InChIKey
GZBUMTPCIKCWFW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
80058
CAS Number
302-61-4
TTD ID
D01KDQ
VARIDT ID
DR00025

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
High affinity choline transporter 1 (SLC5A7) DTWI9TE SC5A7_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4760).
2 The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY. Nucleic Acids Res. 2018 Jan 4;46(D1):D1091-D1106. (familyId=172)