Ligand id: 8804

Name: ritonavir

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 22
Topological polar surface area 202.26
Molecular weight 720.31
XLogP 8.59
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
CYP3A4 Hs Inhibitor Inhibition >7.0 pKi - 2
pKi >7.0 (Ki <1x10-7 M) [2]
CYP3A5 Hs Inhibitor Inhibition 6.9 pKi - 1
pKi 6.9 (Ki 1.2x10-7 M) [1]
UDP glucuronosyltransferase family 1 member A1 Hs Inhibitor Inhibition 5.8 pIC50 - 4
pIC50 5.8 (IC50 1.7x10-6 M) Both inhibitor and substrate [4]