| Drug General Information |
| Drug ID |
D08GRY
|
| Former ID |
DNC001576
|
| Drug Name |
DUP 697
|
| Drug Type |
Small molecular drug
|
| Indication |
Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89]
|
Discontinued in Phase 1 |
[1]
|
|---|
| Therapeutic Class |
Analgesics
|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C17H12BrFO2S2
|
| Canonical SMILES |
CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F
|
| InChI |
1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
|
| InChIKey |
AJFTZWGGHJXZOB-UHFFFAOYSA-N
|
| CAS Number |
CAS 88149-94-4
|
| PubChem Compound ID |
|
| PubChem Substance ID |
13869, 7726235, 8152024, 11114082, 14928864, 26719806, 29222319, 46387010, 49681791, 50053834, 57309595, 57321650, 68530662, 80761432, 85788656, 91746500, 92308584, 103136645, 103223949, 103938661, 104302750, 117390457, 124659165, 124800237, 125334692, 127414638, 134339975, 135093630, 135698419, 137124599, 142359440, 162022338, 162022948, 162927750, 172080565, 172848190, 179148531, 184600222, 221672815, 223439577, 223509535, 225006616, 227291251, 241182424, 241375426, 252457472
|
| 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 800000951) |
|---|
| REF 2 | Current status of COX-2 inhibitors. Mini Rev Med Chem. 2008 Jan;8(1):73-90. |
|---|
