compound 51 [Crosignani et al., 2011]

Ligand id: 8777

Name: compound 51 [Crosignani et al., 2011]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 84
Molecular weight 409.12
XLogP 5.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
DP2 receptor Antagonist Antagonist 8.2 pKi - 1
pKi 8.2 (Ki 6.9x10-9 M) [1]
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CYP2C8 Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 4.3x10-8 M) [1]
CYP2C19 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.1x10-8 M) [1]
CYP2C9 Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 2x10-7 M) [1]