compound 20 [PMID: 23489211]

Ligand id: 8124

Name: compound 20 [PMID: 23489211]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 102.42
Molecular weight 562.38
XLogP 9.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
We have tagged the EphA1 interaction as the primary target, as this has the only data derived from a human EphA receptor.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
EPH receptor A6 Mm Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.5x10-6 M) [1]
EPH receptor A8 Mm Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.5x10-6 M) [1]
EPH receptor A7 Mm Inhibitor Inhibition 5.7 pIC50 - 1
pIC50 5.7 (IC50 2.1x10-6 M) [1]
EPH receptor A2 Mm Inhibitor Inhibition 5.7 pIC50 - 1
pIC50 5.7 (IC50 2.2x10-6 M) [1]
EPH receptor A1 Hs Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.3x10-6 M) [1]
EPH receptor A5 Rn Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.4x10-6 M) [1]
EPH receptor A3 Mm Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.5x10-6 M) [1]
EPH receptor A4 Mm Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.7x10-6 M) [1]
EPH receptor B1 Rn Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.8x10-6 M) [1]
EPH receptor B2 Mm Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.8x10-6 M) [1]
EPH receptor B3 Mm Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 4.4x10-6 M) [1]
EPH receptor B4 Mm Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 4.4x10-6 M) [1]
EPH receptor B6 Mm Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 5.8x10-6 M) [1]