Drug General Information
Drug ID	D0P6PQ
Former ID	DNC008121
Drug Name	THIOCTIC ACID
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529127]
Structure		Download 2D MOL 3D MOL
Formula	C8H14O2S2
Canonical SMILES	C1CSSC1CCCCC(=O)O
InChI	1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKey	AGBQKNBQESQNJD-UHFFFAOYSA-N
CAS Number	CAS 62-46-4
PubChem Compound ID	864
SuperDrug ATC ID	A16AX01
Target and Pathway
Target(s)	Prostaglandin G/H synthase 2	Target Info	Inhibitor	[529127]
	Acetylcholinesterase	Target Info	Inhibitor	[529250]
BioCyc Pathway	Aspirin-triggered lipoxin biosynthesis
	Aspirin triggered resolvin D biosynthesis
	C20 prostanoid biosynthesis
	Aspirin triggered resolvin E biosynthesis
KEGG Pathway	Arachidonic acid metabolism
	Metabolic pathways
	NF-kappa B signaling pathway
	VEGF signaling pathway
	TNF signaling pathway
	Retrograde endocannabinoid signaling
	Serotonergic synapse
	Ovarian steroidogenesis
	Oxytocin signaling pathway
	Regulation of lipolysis in adipocytes
	Leishmaniasis
	Pathways in cancer
	Chemical carcinogenesis
	MicroRNAs in cancer
	Small cell lung cancerhsa00564:Glycerophospholipid metabolism
	Cholinergic synapse
NetPath Pathway	IL1 Signaling Pathway
	TSH Signaling Pathway
	IL4 Signaling Pathway
	TGF_beta_Receptor Signaling Pathway
	IL5 Signaling Pathway
PANTHER Pathway	Endothelin signaling pathway
	Inflammation mediated by chemokine and cytokine signaling pathway
	Toll receptor signaling pathway
	CCKR signaling map STP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
	Muscarinic acetylcholine receptor 2 and 4 signaling pathway
	Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database	Calcineurin-regulated NFAT-dependent transcription in lymphocytes
	S1P1 pathway
	C-MYB transcription factor network
	Signaling mediated by p38-alpha and p38-beta
	Calcium signaling in the CD4+ TCR pathwayatf2_pathway:ATF-2 transcription factor network
PathWhiz Pathway	Arachidonic Acid MetabolismPW000048:Phospholipid Biosynthesis
WikiPathways	Prostaglandin Synthesis and Regulation
	Arachidonic acid metabolism
	Aryl Hydrocarbon Receptor
	Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
	Spinal Cord Injury
	Integrated Pancreatic Cancer Pathway
	Eicosanoid Synthesis
	Selenium Micronutrient NetworkWP727:Monoamine Transport
	Biogenic Amine Synthesis
	Acetylcholine Synthesis
References
Ref 529127	Eur J Med Chem. 2008 Jun;43(6):1152-9. Epub 2007 Sep 22.Investigations concerning the COX/5-LOX inhibiting and hydroxyl radical scavenging potencies of novel 4,5-diaryl isoselenazoles.
Ref 529127	Eur J Med Chem. 2008 Jun;43(6):1152-9. Epub 2007 Sep 22.Investigations concerning the COX/5-LOX inhibiting and hydroxyl radical scavenging potencies of novel 4,5-diaryl isoselenazoles.
Ref 529250	J Med Chem. 2008 Feb 14;51(3):347-72. Epub 2008 Jan 9.Multi-target-directed ligands to combat neurodegenerative diseases.

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