General
Preferred name
METHACHOLINE
Synonyms
METHACHOLINE CHLORIDE ()
Acetyl-beta-methylcholine chloride ()
Acetyl-¦Â-methylcholine chloride ()
Acetyl-??-methylcholine chloride ()
Mecholyl chloride ()
Acetyl Beta-methylcholine ()
Mecholyl chloride, Acetyl-β-methylcholine chloride ()
Acetyl-??methylcholine chloride ()
Mecholyl chloride, Acetyl-??methylcholine chloride ()
Methacholine (chloride) ()
METHACHOLINE BROMIDE ()
Acetyl-β-methylcholine chloride ()
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride ()
Provocholine ()
NSC-757090 ()
Methacholine ion ()
Methacholine cation ()
Mecholyl bromide ()
Acetyl-?-methylcholine (chloride) ()
P&D ID
PD009277
CAS
62-51-1
55-92-5
2410-07-3
29845-59-8
333-31-3
Tags
available
drug candidate
drug
Approved by
FDA
First approval
1986
Drug Status
investigational
approved
Drug indication
Cholinergic
bronchial hyperreactivity
Asthma
Max Phase
Phase 4
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
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)
[[ 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
62
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
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Target
mAChR
AChR
Source data
