General
Preferred name
METHACHOLINE
Synonyms
METHACHOLINE CHLORIDE ()
Acetyl-beta-methylcholine chloride ()
Acetyl-¦Â-methylcholine chloride ()
Acetyl Beta-methylcholine ()
Mecholyl chloride ()
Acetyl-β-methylcholine chloride ()
Mecholyl chloride, Acetyl-β-methylcholine chloride ()
Acetyl-??methylcholine chloride ()
Mecholyl chloride, Acetyl-??methylcholine chloride ()
Methacholine (chloride) ()
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride ()
METHACHOLINE BROMIDE ()
Acetyl-?-methylcholine (chloride) ()
Provocholine ()
Cloruro de metacolina ()
NSC-757090 ()
Chlorure de methacholine ()
Methacholine cation ()
Methacholine ion ()
Mecholyl bromide ()
P&D ID
PD009277
CAS
62-51-1
55-92-5
2410-07-3
29845-59-8
333-31-3
Tags
available
drug
drug candidate
Approved by
FDA
First approval
1986
Drug indication
bronchial hyperreactivity
Asthma
Drug Status
approved
investigational
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Methacholine (Acetyl-¦Â-methylcholine) choride is a potent muscarinic-3 (M3) agonist. Methacholine choride acts directly on acetylcholine receptors on smooth muscle causing bronchoconstriction and airway narrowing. Methacholine choride shows a high sensitivity to identify bronchial hyperresponsiveness (BHR). Methacholine choride can be used to measure airway hyperresponsiveness (AHR) as a diagnostic aid in the assessment of individuals with asthma-like symptoms and normal resting expiratory flow rates[1][2][3][4].
PRICE
29
DESCRIPTION
Methacholine Chloride (Acetyl-??-methylcholine chloride) is a quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma.
DESCRIPTION
The approved drug is methacholine chloride PubChem CID 6114. Note that the approved drug is a racemic mixture of enantiomers. We show the non-chiral molecule to represent this mixture.
(GtoPdb)
DESCRIPTION
M1 muscarinic acetylcholine receptor agonist
(LOPAC library)
DESCRIPTION
Methacholine Chloride (Acetyl-β-methylcholine chloride) is a quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
24
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
Guide to Pharmacology
Ki Database
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
64
Molecular Weight
160.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
0.64
TPSA
26.3
Fraction CSP3
0.88
Chiral centers
1.0
Largest ring
0.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
M1
Target
mAChR
AChR
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Source data
