Detail Information of Xenobiotics

General Information of Xenobiotics (ID: XEO00428)
Xenobiotics Name
Menadione
Xenobiotics Type
Pharmaceutical Agent(s)
Classification
Approved/Marketed Drug
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=4055"></iframe>
3D MOL 2D MOL
PubChem CID
4055
DME(s) Modulated by This Xenobiotics
DME(s) Inhibited by This Xenobiotics
Aldehyde oxidase (AOX1) DME Info Homo sapiens [1]
HMG-CoA reductase (HMGCR) DME Info Homo sapiens [2]
Monoamine oxidase type B (MAO-B) DME Info Homo sapiens [3]
DME(s) Induced by This Xenobiotics
Small intestine reductase (AKR1B10) DME Info Homo sapiens [4]
Aldo-keto reductase 1C2 (AKR1C2) DME Info Homo sapiens [5]
Cytochrome P450 1B1 (CYP1B1) DME Info Homo sapiens [2]
Metallothionein-2A (MT2A) DME Info Homo sapiens [4]
Prostaglandin reductase 1 (PTGR1) DME Info Homo sapiens [6]
Thioredoxin reductase TR1 (TXNRD1) DME Info Homo sapiens [7]
Xenobiotics-DME Activity Data
Xenobiotics-DME Activity Data Aldehyde oxidase (AOX1) DME Info IC50 = 0.2 microM [1]
Monoamine oxidase type B (MAO-B) DME Info Ki = 0.4 microM [3]
References
1 Aldehyde oxidase: an enzyme of emerging importance in drug discovery. J Med Chem. 2010 Dec 23;53(24):8441-60.
2 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
3 Molecular insights into human monoamine oxidase (MAO) inhibition by 1,4-naphthoquinone: evidences for menadione (vitamin K3) acting as a competitive and reversible inhibitor of MAO. Bioorg Med Chem. 2011 Dec 15;19(24):7416-24.
4 Stem cell transcriptome responses and corresponding biomarkers that indicate the transition from adaptive responses to cytotoxicity. Chem Res Toxicol. 2017 Apr 17;30(4):905-922.
5 Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
6 Integrated 'omics analysis reveals new drug-induced mitochondrial perturbations in human hepatocytes. Toxicol Lett. 2018 Jun 1;289:1-13.
7 A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.