| Drug General Information |
| Drug ID |
D0T4VL
|
| Former ID |
DNC013834
|
| Drug Name |
Primary alcohol metabolite of celecoxib
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C17H14F3N3O3S
|
| Canonical SMILES |
C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F<br />)F
|
| InChI |
1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
|
| InChIKey |
ICRSYPPLGADZKA-UHFFFAOYSA-N
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| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Prostaglandin G/H synthase 2 |
Target Info |
Inhibitor |
[1]
|
|---|
| Prostaglandin G/H synthase 1 |
Target Info |
Inhibitor |
[1]
|
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BioCyc Pathway
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Aspirin-triggered lipoxin biosynthesis
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Aspirin triggered resolvin D biosynthesis
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C20 prostanoid biosynthesis
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Aspirin triggered resolvin E biosynthesisPWY66-374:C20 prostanoid biosynthesis
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KEGG Pathway
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Arachidonic acid metabolism
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Metabolic pathways
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NF-kappa B signaling pathway
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VEGF signaling pathway
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TNF signaling pathway
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Retrograde endocannabinoid signaling
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Serotonergic synapse
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Ovarian steroidogenesis
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Oxytocin signaling pathway
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Regulation of lipolysis in adipocytes
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Leishmaniasis
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Pathways in cancer
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Chemical carcinogenesis
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MicroRNAs in cancer
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Small cell lung cancerhsa00590:Arachidonic acid metabolism
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Platelet activation
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NetPath Pathway
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IL1 Signaling Pathway
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TSH Signaling Pathway
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IL4 Signaling Pathway
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TGF_beta_Receptor Signaling Pathway
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IL5 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
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PANTHER Pathway
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Endothelin signaling pathway
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Inflammation mediated by chemokine and cytokine signaling pathway
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Toll receptor signaling pathway
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CCKR signaling map STP00031:Inflammation mediated by chemokine and cytokine signaling pathway
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Pathway Interaction Database
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Calcineurin-regulated NFAT-dependent transcription in lymphocytes
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S1P1 pathway
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C-MYB transcription factor network
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Signaling mediated by p38-alpha and p38-beta
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Calcium signaling in the CD4+ TCR pathway
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PathWhiz Pathway
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Arachidonic Acid MetabolismPW000044:Arachidonic Acid Metabolism
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WikiPathways
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Prostaglandin Synthesis and Regulation
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Arachidonic acid metabolism
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Aryl Hydrocarbon Receptor
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Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
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Spinal Cord Injury
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Integrated Pancreatic Cancer Pathway
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Eicosanoid Synthesis
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Selenium Micronutrient NetworkWP98:Prostaglandin Synthesis and Regulation
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Phase 1 - Functionalization of compounds
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Selenium Micronutrient Network
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| References |
| REF 1 | Bioorg Med Chem. 2008 Nov 15;16(22):9694-8. Epub 2008 Oct 5.Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-hydroxymethylphenyl)-1-(4-aminosulfonylphenyl)-3-trifluoromethyl-1H-pyrazole and its methanesulfonyl analog: synthesis, biological evaluation and nitric oxide release studies. |
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