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 GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
AMP kinase Hs Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.99x10-8 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
transforming growth factor beta receptor 2 Hs Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.37x10-9 M) [1]
kinase insert domain receptor Hs Inhibitor Inhibition 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.68x10-9 M) [1]
bone morphogenetic protein receptor type IA Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.04x10-8 M) [1]
bone morphogenetic protein receptor type 2 Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.59x10-8 M) [1]
activin A receptor type IL Hs Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 4.21x10-8 M) [1]
activin A receptor type 1 Hs Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.34x10-8 M) [1]
bone morphogenetic protein receptor type IB Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.09x10-8 M) [1]