Detail Information of Xenobiotics

General Information of Xenobiotics (ID: XEO00492)
Xenobiotics Name
Benzbromarone
Xenobiotics Type
Pharmaceutical Agent(s)
Classification
Approved/Marketed Drug
Structure
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3D MOL 2D MOL
PubChem CID
2333
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 [2]
Aldo-keto reductase 1C3 (AKR1C3) DME Info Homo sapiens [2]
Aldo-keto reductase 1C4 (AKR1C4) DME Info Homo sapiens [2]
Mephenytoin 4-hydroxylase (CYP2C19) DME Info Homo sapiens [3]
Cytochrome P450 2C9 (CYP2C9) DME Info Homo sapiens [4]
Xenobiotics-DME Activity Data
Xenobiotics-DME Activity Data Aldo-keto reductase 1C1 (AKR1C1) DME Info IC50 = 0.048 microM [1]
Mephenytoin 4-hydroxylase (CYP2C19) DME Info IC50 = 18.2 microM [3]
Cytochrome P450 2C9 (CYP2C9) DME Info IC50 = 0.016 microM [4]
References
1 Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). J Med Chem. 2009 May 28;52(10):3259-64.
2 Selective and potent inhibitors of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) that metabolizes neurosteroids derived from progesterone. Chem Biol Interact. 2003 Feb 1;143-144:503-13.
3 Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors. Drug Metab Dispos. 2013 Jan;41(1):60-71.
4 Quantitative binding models for CYP2C9 based on benzbromarone analogues. Biochemistry. 2004 Jun 8;43(22):6948-58.

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