Drug Information

Drug General Information
Drug ID
D0P6PQ
Former ID
DNC008121
Drug Name
THIOCTIC ACID
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529127]
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 529127Eur 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 529127Eur 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 529250J Med Chem. 2008 Feb 14;51(3):347-72. Epub 2008 Jan 9.Multi-target-directed ligands to combat neurodegenerative diseases.