Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0T4VL
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| Former ID |
DNC013834
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| Drug Name |
Primary alcohol metabolite of celecoxib
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [529754] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C17H14F3N3O3S
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| Canonical SMILES |
C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F<br />)F
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| 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)
|
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| InChIKey |
ICRSYPPLGADZKA-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Prostaglandin G/H synthase 2 | Target Info | Inhibitor | [529754] | |
| Prostaglandin G/H synthase 1 | Target Info | Inhibitor | [529754] | ||
| 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 cancerhsa00590:Arachidonic acid metabolism | |||||
| Platelet activation | |||||
| PathWhiz Pathway | Arachidonic Acid MetabolismPW000044: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 NetworkWP98:Prostaglandin Synthesis and Regulation | |||||
| Phase 1 - Functionalization of compounds | |||||
| Selenium Micronutrient Network | |||||
| References | |||||
| Ref 529754 | 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. | ||||
| Ref 529754 | 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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