compound 14k [PMID: 21982499]

Ligand id: 8214

Name: compound 14k [PMID: 21982499]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 79.38
Molecular weight 372.09
XLogP 4.43
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
In a selectivity profile screen compound 14k inhibited 10 of 107 kinases by >90% at 0.5μM [1]. This 10 included Pim1 and Pim2 (99% and 98% inhibition respectively), and importantly Flt3 which regulates Pim1 and Pim2 [1]. Casein kinase 1, gamma 3 (CSNK1G3) activity is inhibited by 79% in the presence of 0.5μM compound 14k [PMID 21982499] [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Pim-1 proto-oncogene, serine/threonine kinase Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
Pim-2 proto-oncogene, serine/threonine kinase Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
Pim-3 proto-oncogene, serine/threonine kinase Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 8.6x10-8 M) [1]
casein kinase 1 gamma 3 Inhibitor Inhibition - - - 1
[1]
Description: Measured as % inhibition using 0.5μM compound.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
fms related tyrosine kinase 3 Inhibitor Inhibition 7.0 pIC50 - 1
pIC50 7.0 (IC50 1.04x10-7 M) [1]