Drug General Information
Drug ID	D0O1BN
Former ID	DNC012122
Drug Name	SULFOARECOLINE
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[533450]
Structure		Download 2D MOL 3D MOL
Formula	C8H13IO2S
Canonical SMILES	COC(=O)C1=CCC[S+](C1)C.[I-]
InChI	1S/C8H13O2S.HI/c1-10-8(9)7-4-3-5-11(2)6-7;/h4H,3,5-6H2,1-2H3;1H/q+1;/p-1
InChIKey	QFIUNAPEEKPWNB-UHFFFAOYSA-M
PubChem Compound ID	45266262
Target and Pathway
Target(s)	Muscarinic acetylcholine receptor M1	Target Info	Inhibitor	[533450]
	Muscarinic acetylcholine receptor M2	Target Info	Inhibitor	[533450]
	Muscarinic acetylcholine receptor M3	Target Info	Inhibitor	[533450]
	Muscarinic acetylcholine receptor M4	Target Info	Inhibitor	[533450]
	Muscarinic acetylcholine receptor M5	Target Info	Inhibitor	[533450]
KEGG Pathway	Calcium signaling pathway
	cAMP signaling pathway
	Neuroactive ligand-receptor interaction
	PI3K-Akt signaling pathway
	Cholinergic synapse
	Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
	Regulation of actin cytoskeleton
	Insulin secretion
	Salivary secretion
	Gastric acid secretion
	Pancreatic secretionhsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway	Alzheimer disease-amyloid secretase pathway
	Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
	Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
	Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
	Muscarinic acetylcholine receptor 2 and 4 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
PathWhiz Pathway	Muscle/Heart ContractionPW000565:Gastric Acid Production
Reactome	Muscarinic acetylcholine receptors
	G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
	G alpha (i) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
	Acetylcholine regulates insulin secretion
	G alpha (q) signalling events
WikiPathways	Monoamine GPCRs
	Calcium Regulation in the Cardiac Cell
	Regulation of Actin Cytoskeleton
	GPCRs, Class A Rhodopsin-like
	Gastrin-CREB signalling pathway via PKC and MAPK
	Secretion of Hydrochloric Acid in Parietal Cells
	GPCR ligand binding
	GPCR downstream signalingWP706:SIDS Susceptibility Pathways
	GPCR downstream signaling
	GPCRs, OtherWP58:Monoamine GPCRs
	Integration of energy metabolism
	GPCR downstream signalingWP58:Monoamine GPCRs
References
Ref 533450	J Med Chem. 1988 Jul;31(7):1312-6.Heterocyclic muscarinic agonists. Synthesis and biological activity of some bicyclic sulfonium arecoline bioisosteres.
Ref 533450	J Med Chem. 1988 Jul;31(7):1312-6.Heterocyclic muscarinic agonists. Synthesis and biological activity of some bicyclic sulfonium arecoline bioisosteres.

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