compound 3a [PMID: 15615534]

Ligand id: 8819

Name: compound 3a [PMID: 15615534]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 89.76
Molecular weight 483.28
XLogP 7.88
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 enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
CYP24A1 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7.4x10-9 M) [1]