Drug Information

Drug General Information
Drug ID
D09BKE
Former ID
DNC001045
Drug Name
NS398
Drug Type
Small molecular drug
Indication Pain; Endometriosis [ICD9: 338, 617.0,780; ICD10:N80, R52, G89] Terminated [545169]
Therapeutic Class
Analgesics
Structure
Download
2D MOL

3D MOL
Formula
C13H18N2O5S
Canonical SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2
InChI
1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKey
KTDZCOWXCWUPEO-UHFFFAOYSA-N
CAS Number
CAS 123653-11-2
PubChem Compound ID
4553
PubChem Substance ID
6577392, 7980177, 8152806, 11113808, 11121817, 11122297, 11363018, 11365580, 11368142, 11371167, 11371168, 11373743, 11376304, 12014389, 14874430, 24897540, 26751985, 26758791, 29223643, 47440390, 47440391, 49991118, 50104661, 53788464, 53800759, 56312637, 56459054, 57322329, 71821333, 76958543, 85088321, 85787302, 91721719, 92310168, 99301080, 99302600, 99451372, 103165236, 103837864, 103853374, 103938654, 104306736, 117382108, 124756291, 125334684, 128431035, 134340302, 134340303, 135060616, 135698322
Target and Pathway
Target(s) Prostaglandin G/H synthase 2 Target Info Inhibitor [536772]
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 cancer
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 ST
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 pathway
PathWhiz Pathway Arachidonic Acid Metabolism
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 Network
References
Ref 545169Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002344)
Ref 536772New drugs in development for the treatment of endometriosis. Expert Opin Investig Drugs. 2008 Aug;17(8):1187-202.

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