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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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)