compound 25 [PMID: 17935989]

Ligand id: 8122

Name: compound 25 [PMID: 17935989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 162.32
Molecular weight 471.09
XLogP 1.23
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
serine/threonine kinase 31 Inhibitor Inhibition <5.8 pKi - 1
pKi <5.8 (Ki >1.422x10-6 M) [1]
WNK lysine deficient protein kinase 2 Inhibitor Inhibition <5.8 pKi - 1
pKi <5.8 (Ki >1.518x10-6 M) [1]
NIMA related kinase 11 Inhibitor Inhibition <5.8 pKi - 1
pKi <5.8 (Ki >1.549x10-6 M) [1]
NIMA related kinase 3 Inhibitor Inhibition <5.8 pKi - 1
pKi <5.8 (Ki >1.667x10-6 M) [1]
SRSF protein kinase 3 Inhibitor Inhibition <5.8 pKi - 1
pKi <5.8 (Ki >1.736x10-6 M) [1]
checkpoint kinase 1 Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
nemo like kinase Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.611x10-6 M) [1]
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 1 Inhibitor Inhibition 6.4 pKi - 1
pKi 6.4 (Ki 4.4x10-7 M) [1]
muscle associated receptor tyrosine kinase Inhibitor Inhibition 5.8 pKi - 1
pKi 5.8 (Ki 1.65x10-6 M) [1]