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 0.39
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Guide to Malaria Pharmacology Comments
Doxycycline is listed in the WHO 20th Essential Medicines List (2017) as both a curative treatment for severe P. falciparum malaria (in combination with quinine) and for malaria prophylaxis as a monotherapy.

Potential Target/Mechanism Of Action: As the precise mechanism of action of doxycycline is not yet known, we do not have a molecular target for this compound. Further information about possible mechanistic insights is provided under the Clinical data tab.