compound 1 [PMID: 16821802]

Ligand id: 8873

Name: compound 1 [PMID: 16821802]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 36.28
Molecular weight 306.11
XLogP 3.47
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Haem oxygenase 1 Inhibitor Inhibition 5.8 pKi - 1
pKi 5.8 (Ki 1.5x10-6 M) [1]
Description: Enzyme isolated from human spleen.
Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Haem oxygenase 1 Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 8x10-7 M) [1]
Description: Enzyme isolated from rat spleen.
Haem oxygenase 2 Inhibitor Inhibition 3.5 pIC50 - 1
pIC50 3.5 (IC50 3.05x10-4 M) [1]
Description: Enzyme isolated from rat brain.