monomethyl fumarate

Ligand id: 5786

Name: monomethyl 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 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 130.03
XLogP -0.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCA2 receptor Hs Agonist Full agonist 6.7 pKi - 2
pKi 6.7 (Ki 1.8x10-7 M) [2]
HCA2 receptor Hs Agonist Full agonist 5.0 pEC50 - 1
pEC50 5.0 (EC50 9.4x10-6 M) [1]