compound 1d [PMID: 21493067]

Ligand id: 8123

Name: compound 1d [PMID: 21493067]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 102.31
Molecular weight 355.14
XLogP 3.26
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

Bioactivity Comments
Compound 1d inhibits other kinases with varying efficacy. IC50s for TrkA, JAK3 and Ret are all < 100nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Janus kinase 2 Hs Inhibitor Inhibition >9.0 pIC50 - 1
pIC50 >9.0 (IC50 <1x10-9 M) [1]
Janus kinase 3 Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.5x10-8 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
neurotrophic receptor tyrosine kinase 1 Hs Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
ret proto-oncogene Hs Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.9x10-8 M) [1]
fibroblast growth factor receptor 3 Hs Inhibitor Inhibition 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.15x10-7 M) [1]
muscle associated receptor tyrosine kinase Hs Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 2.24x10-7 M) [1]