General
Preferred name
trimethylamine
Synonyms
TRIMETHYLAMINE HYDROCHLORIDE ()
Trimethylammonium chloride ()
Hegzadesil ()
Trimethylamine hydrochloric acid ()
Trimethylamine monohydrochloride ()
TRIMETHYLAMMONIUM ()
P&D ID
PD047270
CAS
4558-12-7
75-50-3
593-81-7
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Certain human gut microbes can generate trimethylamine from foods rich in lecithin, choline and L-carnitine. The trimethylamine can then be absorbed in to the blood, and subseuently metabolised in the liver to trimethylamine N-oxide. (GtoPdb)
DESCRIPTION Trimethylammonium chlorideIt is an endogenous metabolite that inhibits deacetylation. Trimethylammonium chlorideIs a non-competitive inhibitor of acetylcholinesterase[1][2].
PRICE 29
DESCRIPTION Trimethylammonium chloride is a product of the breakdown of plants and animals and is a non-competitive acetylcholinesterase inhibitor. (TargetMol Bioactive Compound Library)
Compound Sets
5
DrugMAP
DM8LJ3C
EU-OPENSCREEN Bioactive Compound Library
EOS101853
Guide to Pharmacology
5521
MedChem Express Bioactive Compound Library
HY-Y0504
TargetMol Bioactive Compound Library
T4827
External IDs
55
Properties
(calculated by RDKit )
Molecular Weight
59.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
0.18
TPSA
3.24
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.38
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
cholinesterase
Cholinesterase (ChE)
Endogenous Metabolite
Pathway
Metabolism
Neuroscience
Metabolic Enzyme/Protease
Neuronal Signaling
Source data