fadrozole

Ligand id: 8311

Name: fadrozole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 41.61
Molecular weight 223.11
XLogP 2.73
No. Lipinski's rules broken 0

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 CYP19A1 (aromatase) as the primary target of this drug, based on the fact that its clinical use utilises this interaction. However, we also include reported data for interactions with other CYP P450 enzymes.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
CYP11B2 Hs Inhibitor Inhibition 9.1 pKi - 2
pKi 9.1 (Ki 8x10-10 M) [2]
CYP11B1 Hs Inhibitor Inhibition 8.7 pKi - 2
pKi 8.7 (Ki 2.2x10-9 M) [2]
CYP19A1 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.5x10-9 M) [1]