compound 21 [PMID: 23312943]

Ligand id: 8135

Name: compound 21 [PMID: 23312943]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 79.11
Molecular weight 460.15
XLogP 4.48
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

Bioactivity Comments
MAP4K4 (aka HGK or NIK) is a secondary target of compound 21, with an IC50 approximately 25 times less effective as compared to Sky inhibition.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
mitogen-activated protein kinase kinase kinase kinase 4 Hs Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.8x10-8 M) [1]
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TYRO3 protein tyrosine kinase Hs Inhibitor Inhibition 9.1 pIC50 - 1
pIC50 9.1 (IC50 7x10-10 M) [1]