ritonavir   Click here for help

GtoPdb Ligand ID: 8804

Abbreviated name: RTV
Synonyms: A-84538 | ABBOTT-84538 | ABT 538 | ABT-538 | Norvir®
Approved drug PDB Ligand
ritonavir is an approved drug (EMA & FDA (1996))
Compound class: Synthetic organic
Comment: Ritonavir is an orally bioavailable antiviral that is generally administered in combination with other anti-HIV or anti-HCV drugs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 22
Topological polar surface area 202.26
Molecular weight 720.31
XLogP 3.94
No. Lipinski's rules broken 2
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Canonical SMILES O=C(NC(C(CC(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1
Isomeric SMILES O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1
InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
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Summary of Clinical Use Click here for help
Used to treat HIV+ve patients.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Ritonavir prevents replication of human immunodeficiency virus (HIV) by inhibiting HIV protease. In addition, ritonavir inhibits metabolism of other antiretroviral protease inhibitors by hepatic cytochrome P450-3A4 (CYP3A4), thereby increasing their duration of action [3].
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