Ligand id: 8173

Name: CEP-1374

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 145.32
Molecular weight 615.19
XLogP 4.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
CEP-1374 is often descrided as a selective inhibitor of mitogen-activated protein kinase kinase kinase 11 (MLK3), but in fact has inhibitory activity (> 99% inhibition) across all MLKs and a range of additional kinases [1]. The off-targets include leucine-rich repeat kinase 2 (LRRK2), fms-related tyrosine kinase 3 (FLT3), calcium/calmodulin-dependent protein kinase ID (CAMK1D), c-kit receptor tyrosine kinase (KIT) and Aurora kinases A and C [1].
We have tagged MLK1 as the primary molecular target for this compound for data metrics proposes only, and fully acknowledge its effect on other targets.
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 kinase kinase 9 Inhibitor Inhibition 7.4 – 9.0 pIC50 - 1,3
pIC50 7.4 – 9.0 (IC50 3.8x10-8 – 1x10-9 M) [1,3]
mitogen-activated protein kinase kinase kinase 10 Inhibitor Inhibition 7.3 – 8.7 pIC50 - 1,3
pIC50 7.3 – 8.7 (IC50 5.1x10-8 – 2x10-9 M) [1,3]
mitogen-activated protein kinase kinase kinase 11 Inhibitor Inhibition 7.6 – 8.2 pIC50 - 1,3
pIC50 7.6 – 8.2 (IC50 2.3x10-8 – 6x10-9 M) [1,3]