compound 13a [PMID: 23639540]

Ligand id: 8155

Name: compound 13a [PMID: 23639540]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 71.34
Molecular weight 346.15
XLogP 1.65
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
AMP kinase Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.99x10-8 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
transforming growth factor beta receptor 2 Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.37x10-9 M) [1]
kinase insert domain receptor Inhibitor Inhibition 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.68x10-9 M) [1]
bone morphogenetic protein receptor type IA Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.04x10-8 M) [1]
bone morphogenetic protein receptor type 2 Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.59x10-8 M) [1]
activin A receptor type IL Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 4.21x10-8 M) [1]
activin A receptor type 1 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.34x10-8 M) [1]
bone morphogenetic protein receptor type IB Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.09x10-8 M) [1]