compound 13r [PMID: 23639540]

Ligand id: 8144

Name: compound 13r [PMID: 23639540]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 49.56
Molecular weight 420.21
XLogP 4.1
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
Compound 13r shows little selectivity across the members of the Type I receptor serine/threonine kinases family, which contains the bone morphogenetic protein receptors, and also inhibits transforming growth factor, beta receptor II (TGFBR2, a Type II receptor serine/threonine kinase) with IC50 of 15nM [1].
We have tagged ALK1/ACVRL1 as primary target for compound 13r based only on the fact that this is the first member of the protein family, with several members being equally sensitive to compound 13r inhibition.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
activin A receptor type IL Inhibitor Inhibition >8.3 pIC50 - 1
pIC50 >8.3 (IC50 <5x10-9 M) [1]
activin A receptor type 1 Inhibitor Inhibition >8.3 pIC50 - 1
pIC50 >8.3 (IC50 <5x10-9 M) [1]
bone morphogenetic protein receptor type IA Inhibitor Inhibition >8.3 pIC50 - 1
pIC50 >8.3 (IC50 <5x10-9 M) [1]
bone morphogenetic protein receptor type IB Inhibitor Inhibition >8.3 pIC50 - 1
pIC50 >8.3 (IC50 <5x10-9 M) [1]
transforming growth factor beta receptor 1 Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.5x10-8 M) [1]
activin A receptor type 1B Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.83x10-7 M) [1]