Detail Information of Xenobiotics

General Information of Xenobiotics (ID: XEO00583)
Xenobiotics Name
NS-398
Xenobiotics Type
Pharmaceutical Agent(s)
Classification
Drug in Phase 1 Clinical Trial
Structure
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3D MOL 2D MOL
PubChem CID
4553
DME(s) Modulated by This Xenobiotics
DME(s) Inhibited by This Xenobiotics
Aromatase (CYP19A1) DME Info Homo sapiens [1], [2]
Prostaglandin G/H synthase 1 (COX-1) DME Info Homo sapiens [3]
Prostaglandin G/H synthase 2 (COX-2) DME Info Homo sapiens [4]
DME(s) Induced by This Xenobiotics
Arachidonate 15-lipoxygenase (ALOX15) DME Info Homo sapiens [5]
Cellular glutathione peroxidase (GPX1) DME Info Homo sapiens [5]
Xenobiotics-DME Activity Data
Xenobiotics-DME Activity Data Aromatase (CYP19A1) DME Info IC50 = 0.68 microM [1], [2]
Prostaglandin G/H synthase 1 (COX-1) DME Info IC50 = 220 microM [3]
Prostaglandin G/H synthase 2 (COX-2) DME Info IC50 = 0.001 microM [4]
References
1 Novel sulfonanilide analogs decrease aromatase activity in breast cancer cells: synthesis, biological evaluation, and ligand-based pharmacophore identification. J Med Chem. 2008 Mar 13;51(5):1126-35.
2 Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition. J Med Chem. 2006 Feb 23;49(4):1413-9.
3 Synthesis and PGE?production inhibition of s-triazine derivatives as a novel scaffold in RAW 264.7 macrophage cells. Bioorg Med Chem Lett. 2014 Dec 1;24(23):5418-22.
4 Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor. Bioorg Med Chem Lett. 2002 Mar 11;12(5):779-82.
5 An in vitro investigation of endocrine disrupting effects of the mycotoxin alternariol. Toxicol Appl Pharmacol. 2013 Aug 15;271(1):64-71.

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