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

Immunopharmacology Comments
DMF is converted to an active metabolite that is an inhibitor of the KEAP1-Nrf2 protein-protein interaction, or functional Nrf2 activator. Compounds exhibiting this mechanism of action have anti-inflammatory and cytoprotective activity.
Immunopharmacology Disease
Disease X-Refs Comment References
Multiple sclerosis Disease Ontology: DOID:2377
OMIM: 126200
Orphanet: ORPHA802
Approved drug for relapsing MS. The effect of DMF on innate and adaptive immunity in MS is discussed by Diebold et al. (2018) 2