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 GtoPdb and ChEMBL (where available) across species

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