Detail Information of Xenobiotics

General Information of Xenobiotics (ID: XEO00248)
Xenobiotics Name
Ibuprofen
Xenobiotics Type
Pharmaceutical Agent(s)
Classification
Approved/Marketed Drug
Structure
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3D MOL 2D MOL
PubChem CID
3672
DME(s) Modulated by This Xenobiotics
DME(s) Inhibited by This Xenobiotics
Aldo-keto reductase 1C1 (AKR1C1) DME Info Homo sapiens [1]
Aldo-keto reductase 1C2 (AKR1C2) DME Info Homo sapiens [1]
Aldo-keto reductase 1C3 (AKR1C3) DME Info Homo sapiens [1]
Aromatase (CYP19A1) DME Info Homo sapiens [2]
Cytochrome P450 1A2 (CYP1A2) DME Info Homo sapiens [3]
Prostaglandin G/H synthase 1 (COX-1) DME Info Homo sapiens [4]
Prostaglandin G/H synthase 2 (COX-2) DME Info Homo sapiens [5]
Sulfotransferase 1E1 (SULT1E1) DME Info Homo sapiens [6]
DME(s) Induced by This Xenobiotics
Asparagine synthetase (ASNS) DME Info Homo sapiens [3]
Iduronate 2-sulfatase (IDS) DME Info Homo sapiens [3]
Putrescine acetyltransferase (SSAT1) DME Info Homo sapiens [7]
Xenobiotics-DME Activity Data
Xenobiotics-DME Activity Data Aldo-keto reductase 1C1 (AKR1C1) DME Info IC50 > 100 microM [1]
Aldo-keto reductase 1C2 (AKR1C2) DME Info IC50 = 42.4 microM [1]
Aldo-keto reductase 1C3 (AKR1C3) DME Info IC50 = 32.7 microM [1]
Prostaglandin G/H synthase 1 (COX-1) DME Info IC50 = 0.09865 microM [4]
Prostaglandin G/H synthase 2 (COX-2) DME Info IC50 = 0.1 microM [5]
References
1 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J Med Chem. 2012 Sep 13;55(17):7746-58.
2 Translational studies on aromatase, cyclooxygenases, and enzyme inhibitors in breast cancer. J Steroid Biochem Mol Biol. 2005 May;95(1-5):129-36.
3 Transcriptomics hit the target: monitoring of ligand-activated and stress response pathways for chemical testing. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):7-18.
4 Methyl-monofluorination of ibuprofen selectively increases its inhibitory activity toward cyclooxygenase-1 leading to enhanced analgesic activity and reduced gastric damage in vivo. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3578-82.
5 Nonsteroidal anti-inflammatory drugs as scaffolds for the design of 5-lipoxygenase inhibitors. J Med Chem. 1997 Feb 28;40(5):819-24.
6 Inhibition of human phenol and estrogen sulfotransferase by certain non-steroidal anti-inflammatory agents. Curr Drug Metab. 2006 Oct;7(7):745-53.
7 Induction of spermidine/spermine N1-acetyltransferase (SSAT) by aspirin in Caco-2 colon cancer cells. Biochem J. 2006 Feb 15;394(Pt 1):317-24.

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