| 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 |
[1]
|
|---|
| 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 |
|
| 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 |
[2]
|
|---|
|
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 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002344) |
|---|
| REF 2 | New drugs in development for the treatment of endometriosis. Expert Opin Investig Drugs. 2008 Aug;17(8):1187-202. |
|---|
