doxycycline

Ligand id: 6464

Name: doxycycline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 2
Topological polar surface area 181.62
Molecular weight 444.15
XLogP 0.43
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MMP7 Inhibitor Inhibition 4.1 pKd - 1
pKd 4.1 (Kd 7.3x10-5 M) [1]
MMP8 Inhibitor Inhibition 4.6 pIC50 - 2
pIC50 4.6 (IC50 2.6x10-5 M) [2]