Detail Information of Xenobiotics

General Information of Xenobiotics (ID: XEO00352)
Xenobiotics Name
Diclofenac
Xenobiotics Type
Pharmaceutical Agent(s)
Classification
Approved/Marketed Drug
Structure
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3D MOL 2D MOL
PubChem CID
3033
DME(s) Modulated by This Xenobiotics
DME(s) Inhibited by This Xenobiotics
Asparagine synthetase (ASNS) DME Info Homo sapiens [1]
Cytochrome P450 1A2 (CYP1A2) DME Info Homo sapiens [2]
Cytochrome P450 2C9 (CYP2C9) DME Info Homo sapiens [3]
Cytochrome P450 2E1 (CYP2E1) DME Info Homo sapiens [2]
Cytochrome P450 3A4 (CYP3A4) DME Info Homo sapiens [4]
Glutathione S-transferase alpha-1 (GSTA1) DME Info Homo sapiens [5]
Glutathione S-transferase mu-1 (GSTM1) DME Info Homo sapiens [5]
Prostaglandin reductase 1 (PTGR1) DME Info Homo sapiens [6]
Prostaglandin G/H synthase 1 (COX-1) DME Info Homo sapiens [7]
Prostaglandin G/H synthase 2 (COX-2) DME Info Homo sapiens [8], [7]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME Info Homo sapiens [9]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME Info Homo sapiens [10]
UDP-glucuronosyltransferase 2B15 (UGT2B15) DME Info Homo sapiens [10]
DME(s) Induced by This Xenobiotics
Cytochrome P450 1A1 (CYP1A1) DME Info Homo sapiens [11]
Quinone reductase 1 (NQO1) DME Info Homo sapiens [12]
Xenobiotics-DME Activity Data
Xenobiotics-DME Activity Data Cytochrome P450 3A4 (CYP3A4) DME Info Ki = 1640 microM [4]
Prostaglandin G/H synthase 1 (COX-1) DME Info IC50 = 0.003 microM [7]
Prostaglandin G/H synthase 2 (COX-2) DME Info IC50 = 0.005 microM [8], [7]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME Info Ki = 52 microM [9]
References
1 Antirheumatic drug response signatures in human chondrocytes: potential molecular targets to stimulate cartilage regeneration. Arthritis Res Ther. 2009;11(1):R15.
2 A chemoproteomic platform to assess bioactivation potential of drugs. Chem Res Toxicol. 2017 Oct 16;30(10):1797-1803.
3 Inhibition of cytochrome P450 enzymes participating in p-nitrophenol hydroxylation by drugs known as CYP2E1 inhibitors. Chem Biol Interact. 2004 Apr 15;147(3):331-40.
4 Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab. 2005 Oct;6(5):413-54.
5 Simulation of interindividual differences in inactivation of reactive para-benzoquinone imine metabolites of diclofenac by glutathione S-transferases in human liver cytosol. Toxicol Lett. 2016 Jul 25;255:52-62.
6 Human prostaglandin reductase 1 (PGR1): Substrate specificity, inhibitor analysis and site-directed mutagenesis. Chem Biol Interact. 2015 Jun 5;234:105-13.
7 Exploring activity cliffs in medicinal chemistry. J Med Chem. 2012 Apr 12;55(7):2932-42.
8 Extraction and visualization of potential pharmacophore points using support vector machines: application to ligand-based virtual screening for COX-2 inhibitors. J Med Chem. 2005 Nov 3;48(22):6997-7004.
9 UDP-glucuronosyltransferases and clinical drug-drug interactions. Pharmacol Ther. 2005 Apr;106(1):97-132.
10 Identification of human UDP-glucuronosyltransferase enzyme(s) responsible for the glucuronidation of 3-hydroxydesloratadine. Biopharm Drug Dispos. 2004 Sep;25(6):243-52.
11 The inducibility of human cytochrome P450 1A by environmental-relevant xenobiotics in the human hepatoma derived cell line HepG2. Environ Toxicol Pharmacol. 2009 Nov;28(3):370-8.
12 Aspirin-like drugs can protect human T lymphocytes against benzoquinone cytotoxicity: evidence for a NAD(P)H:quinone reductase-dependent mechanism. Arch Toxicol. 1995;69(10):684-9.

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