Ligand id: 5668

Name: doramapimod

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 80.13
Molecular weight 527.29
XLogP 5.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Doramapimod (as research code BIRB 796) has been assessed in Phase II clinical trials for plaque-type psoriasis and rheumatoid arthritis (RA). Additional trials for RA and Crohn's disease were terminated. Development of the compound has not progressed beyond Phase II.
Mechanism Of Action and Pharmacodynamic Effects
p38 MAP kinases α and β are crucial in regulating the production of proinflammatory cytokines, such as tumor necrosis factor α (TNFα) and interleukin-1β. Doramapimod inhibits p38 MAP kinase activity, and has been shown to block TNFα release in LPS-stimulated THP-1 cells with an IC50 value of 18 nM [3].