General
Preferred name
ACETYLCHOLINE
Synonyms
ACETYLCHOLINE CHLORIDE ()
Ach ()
ACh chloride ()
Pilofrin ()
Acetylcholine Hydrobromide ()
Acetylcholine (iodide) ()
Acetylcholine (chloride) ()
Miochol ()
ACh (iodide) ()
ACh (chloride) ()
ACETYLCHOLINE IODIDE ()
Acetylcolina ()
NSC-755845 ()
Choline acetate (ester) chloride ()
Miochol-E ()
Miphtel ()
Acetylcholine chloride for injection ()
Acetylcholine ()
[3H]acetylcholine ()
P&D ID
PD009386
CAS
60-31-1
51-84-3
1784-29-8
2260-50-6
66-23-9
Tags
available
drug
Approved by
FDA
First approval
1973
Drug Status
investigational
approved
Drug indication
Cardiac Depressant
Miotic
Vasodilator (peripheral)
Cholinergic
Cataract
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCPRITION A neurotransmitter found at neuromuscular junctions, autonomic ganglia, parasympathetic effector junctions, a subset of sympathetic effector junctions, and at many sites in the central nervous system.
DESCRIPTION The position of the tritiated hydrogen atom is not specified in the available literature therefore is not shown in the structure here. (GtoPdb)
DESCRIPTION Acetylcholine is an organic molecule that acts as a neurotransmitter in many organisms, including humans. (BOC Sciences Bioactive Compounds)
DESCRIPTION Acetylcholine iodide is a neurotransmitter found at neuromuscular junctions, autonomic ganglia, parasympathetic effector junctions, a subset of sympathetic effector junctions, and at many sites in the central nervous system. (BOC Sciences Bioactive Compounds)
Compound Sets
30
BOC Sciences Bioactive Compounds
acetylcholine-chloride-cas-60-31-1-item-84-292813
ethanaminium-2-acetyloxy-n-n-n-trimethyl-iodide-1-1-cas-2260-50-6-item-175232
Cayman Chemical Bioactives
23829
ChEMBL Approved Drugs
CHEMBL1184
CHEMBL667
ChEMBL Drugs
CHEMBL1184
CHEMBL667
Concise Guide to Pharmacology 2017/18
294
8593
Concise Guide to Pharmacology 2019/20
294
8593
Concise Guide to Pharmacology 2021/22
294
Concise Guide to Pharmacology 2023/24
294
8593
Drug Repurposing Hub
DrugBank
DB03128
DrugBank Approved Drugs
DB03128
DrugCentral
65
DrugCentral Approved Drugs
65
DrugMAP
DMDF79Z
DrugMAP Approved Drugs
DMDF79Z
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101447
Guide to Pharmacology
294
8593
Ki Database
Acetylcholine
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1184
CHEMBL667
MedChem Express Bioactive Compound Library
HY-B0282
HY-101086
NCATS Inxight Approved Drugs
N9YNS0M02X
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
Acetylcholine-chloride
acetylcholine-iodide
TargetMol Bioactive Compound Library
T1221
The Spectrum Collection
ZINC Tool Compounds
ZINC000003079336
External IDs
99
Properties
(calculated by RDKit )
Molecular Weight
146.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
0.26
TPSA
26.3
Fraction CSP3
0.86
Chiral centers
0.0
Largest ring
0.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Metabolic Enzyme/Protease
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
AChR
ACHE, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CHRNA2
Endogenous Metabolite
Calcium Channel
nAChR
Indication
drowsiness, fatigue, headache, indigestion, chest congestion
Disease Area
neurology/psychiatry, gastroenterology, pulmonary
MOA
acetylcholine receptor agonist
Therapeutic Class
Cardiovascular Agents
Source data