KEGG   DRUG: Methacholine chlorideHelp
Entry
D04970                      Drug                                   

Name
Methacholine chloride (JAN/USAN/INN);
Provocholine (TN)
Product
Formula
C8H18NO2. Cl
Exact mass
195.1026
Mol weight
195.687
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01490  Muscarinic cholinergic receptor agonist
Remark
Therapeutic category: 7290
Chemical structure group: DG01290
Product (DG01290): D04970<JP/US>
Efficacy
Diagnostic, Muscarinic acetylcholine receptor agonist
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion
hsa04972  Pancreatic secretion
Interaction
Drug interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
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/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D04970  Methacholine chloride (JAN/USAN/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04970
BRITE hierarchy
Other DBs
CAS: 62-51-1
PubChem: 47206703
ChEBI: 50142
ChEMBL: CHEMBL1200764
LigandBox: D04970
NIKKAJI: J98.376D
LinkDB All DBs
KCF data Show

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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