dimethyl fumarate

Ligand id: 7045

Name: dimethyl fumarate

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 52.6
Molecular weight 144.04
XLogP 0.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Blewett MM, Xie J, Zaro BW, Backus KM, Altman A, Teijaro JR, Cravatt BF. (2016)
Chemical proteomic map of dimethyl fumarate-sensitive cysteines in primary human T cells.
Sci Signal, 9 (445): rs10. [PMID:27625306]
2. Diebold M, Sievers C, Bantug G, Sanderson N, Kappos L, Kuhle J, Lindberg RLP, Derfuss T. (2018)
Dimethyl fumarate influences innate and adaptive immunity in multiple sclerosis.
J. Autoimmun., 86: 39-50. [PMID:28958667]
3. Kornberg MD, Bhargava P, Kim PM, Putluri V, Snowman AM, Putluri N, Calabresi PA, Snyder SH. (2018)
Dimethyl fumarate targets GAPDH and aerobic glycolysis to modulate immunity.
Science, 360 (6387): 449-453. [PMID:29599194]
4. Lee CF, Lo YC, Cheng CH, Furtmüller GJ, Oh B, Andrade-Oliveira V, Thomas AG, Bowman CE, Slusher BS, Wolfgang MJ et al.. (2015)
Preventing Allograft Rejection by Targeting Immune Metabolism.
Cell Rep, 13 (4): 760-770. [PMID:26489460]
5. Li W, Kong AN. (2009)
Molecular mechanisms of Nrf2-mediated antioxidant response.
Mol. Carcinog., 48 (2): 91-104. [PMID:18618599]
6. Linker RA, Lee DH, Ryan S, van Dam AM, Conrad R, Bista P, Zeng W, Hronowsky X, Buko A, Chollate S et al.. (2011)
Fumaric acid esters exert neuroprotective effects in neuroinflammation via activation of the Nrf2 antioxidant pathway.
Brain, 134 (Pt 3): 678-92. [PMID:21354971]
7. Schuiveling M, Vazirpanah N, Radstake TRDJ, Zimmermann M, Broen JCA. (2018)
Metformin, A New Era for an Old Drug in the Treatment of Immune Mediated Disease?.
Curr Drug Targets, 19 (8): 945-959. [PMID:28606032]