Molecule Details
InChIKeyNZWOPGCLSHLLPA-UHFFFAOYSA-N
Compound NameMethacholine
Canonical SMILESCC(=O)OC(C)C[N+](C)(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.23
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06709
Drug NameMethacholine
CAS Number55-92-5
Groups approved investigational
ATC Codes V04CX03
DescriptionAsthma is a complex condition associated with phenomena such as airway hyperresponsiveness (AHR), in which the smooth muscle in the airways (ASM) excessively contracts in response to stimuli, reducing pulmonary function and causing symptoms such as difficulty breathing.[A229598, A229603] Although th...

Categories: Amines Ammonium Compounds Autonomic Agents Bronchoconstrictor Agents Cholinergic Agents Cholinergic Agonists Cholinergic Receptor Agonist Diagnostic Agents Methacholine Compounds Miotics Muscarinic Agonists Neurotransmitter Agents Nitrogen Compounds Onium Compounds Other Diagnostics Parasympathomimetics Peripheral Nervous System Agents Quaternary Ammonium Compounds Respiratory System Agents Trimethyl Ammonium Compounds
Cross-references: BindingDB: 48918 ChEBI: 6804 CHEMBL978 ChemSpider: 1916 Drugs Product Database (DPD): 9543 C07471 PharmGKB: PA165958382 PubChem:1993 PubChem:99443261 RxCUI: 155080 Wikipedia: Methacholine
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P11229 CHRM1 Homo sapiens Human PF00001 7.6 Ki BindingDB
P08172 CHRM2 Homo sapiens Human PF00001 6.8 IC50 ChEMBL;BindingDB
DrugBank Target Actions (6)
Target Gene Target Name Action Type
P08172 CHRM2 Muscarinic acetylcholine receptor M2 agonist targets
P08173 CHRM4 Muscarinic acetylcholine receptor M4 agonist targets
P08912 CHRM5 Muscarinic acetylcholine receptor M5 agonist targets
P11229 CHRM1 Muscarinic acetylcholine receptor M1 agonist targets
P20309 CHRM3 Muscarinic acetylcholine receptor M3 agonist targets
O76082 O76082 Organic cation/carnitine transporter 2 inhibitor transporters