doramapimod

Ligand id: 5668

Name: doramapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 80.65
Molecular weight 527.29
XLogP 6.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Doramapimod shows moderate selectivity for the p38α, -β and -γ isozymes compared to p38δ [2]. A Kd value of 0.1nM is reported in [3], but the authors do not specify subtype identity. In a screening panel of kinases, doramapimod inhibited many kinases with IC50 values <100nM (see Supplementary Information attached to [2]).
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
mitogen-activated protein kinase 14 Inhibitor Inhibition 9.4 pKd - 1
pKd 9.4 (Kd 4.5x10-10 M) [1]
mitogen-activated protein kinase 11 Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 7x10-9 M) [2]
Description: Inhibition of p38β2.
mitogen-activated protein kinase 14 Inhibitor Inhibition 7.7 pIC50 - 2
pIC50 7.7 (IC50 2x10-8 M) [2]
mitogen-activated protein kinase 12 Inhibitor Inhibition 7.5 pIC50 - 2
pIC50 7.5 (IC50 3x10-8 M) [2]
mitogen-activated protein kinase 13 Inhibitor Inhibition 6.5 pIC50 - 2
pIC50 6.5 (IC50 3x10-7 M) [2]