KEGG   DRUG: Methacholine chloride
Entry
D04970                      Drug                                   
Name
Methacholine chloride (JAN/USP/INN);
Provocholine (TN)
Product
METHACHOLINE CHLORIDE (Methapharm)
Formula
C8H18NO2. Cl
Exact mass
195.1026
Mol weight
195.687
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01490  Muscarinic cholinergic receptor agonist
Remark
Therapeutic category: 7290
ATC code: V04CX03
Chemical structure group: DG01290
Product (DG01290): D04970<JP/US>
Efficacy
Bronchoconstrictor, Diagnostic, Muscarinic acetylcholine receptor agonist
Comment
Diagnosis of bronchial airway hyperreactivity
Target
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion
hsa04972  Pancreatic secretion
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CX Other diagnostic agents
     V04CX03 Methacholine
      D04970  Methacholine chloride (JAN/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   729  Miscellaneous
    7290  Miscellaneous
     D04970  Methacholine chloride (JAN/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01490  Muscarinic cholinergic receptor agonist
   DG01290  Methacholine
    D04970  Methacholine chloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D04970  Methacholine chloride (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04970
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01490  Muscarinic cholinergic receptor agonist
   DG01290  Methacholine
Other DBs
CAS: 62-51-1
PubChem: 47206703
ChEBI: 50142
LigandBox: D04970
NIKKAJI: J98.376D
KCF data

ATOM        12
            1   N1d N    20.0900  -17.0100 #+
            2   C1b C    21.2100  -17.6400
            3   C1a C    19.3200  -15.5400
            4   C1a C    18.6200  -17.0100
            5   C1a C    19.3200  -18.4100
            6   C1c C    22.3300  -17.0100
            7   O7a O    23.5200  -17.6400
            8   C7a C    24.6400  -17.0100
            9   C1a C    25.7600  -17.6400
            10  O6a O    24.6400  -15.6800
            11  C1a C    22.3122  -15.6101
            12  X   Cl   29.1900  -17.2900 #-
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    6  11 1

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Ontology (5)   
   KEGG BRITE (5)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (10)   
   KEGG ORTHOLOGY (5)   
   KEGG GENES (5)   
All databases (21)   

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