Ligand id: 8804

Name: ritonavir

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: ritonavir

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

1. Fontana E, Dansette PM, Poli SM. (2005)
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Curr. Drug Metab., 6 (5): 413-54. [PMID:16248836]
2. Kharasch ED, Mitchell D, Coles R, Blanco R. (2008)
Rapid clinical induction of hepatic cytochrome P4502B6 activity by ritonavir.
Antimicrob. Agents Chemother., 52 (5): 1663-9. [PMID:18285471]
3. Zeldin RK, Petruschke RA. (2004)
Pharmacological and therapeutic properties of ritonavir-boosted protease inhibitor therapy in HIV-infected patients.
J. Antimicrob. Chemother., 53 (1): 4-9. [PMID:14657084]
4. Zhou J, Tracy TS, Remmel RP. (2011)
Correlation between bilirubin glucuronidation and estradiol-3-gluronidation in the presence of model UDP-glucuronosyltransferase 1A1 substrates/inhibitors.
Drug Metab. Dispos., 39 (2): 322-9. [PMID:21030469]