Molecule Details
InChIKeyNCDNCNXCDXHOMX-XGKFQTDJSA-N
Compound NameRitonavir
Canonical SMILESCC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)12
Pfam Stratification Cross-Family
Avg pChEMBL7.58
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00503
Drug NameRitonavir
CAS Number155213-67-5
Groups approved investigational
ATC Codes J05AP53 J05AR10 J05AE30 J05AE03 J05AR23 J05AR26 J05AP52
DescriptionRitonavir is an HIV protease inhibitor that interferes with the reproductive cycle of HIV. Although it was initially developed as an independent antiviral agent, it has been shown to possess advantageous properties in combination regimens with low-dose ritonavir and other protease inhibitors. It is ...

Categories: Acids, Acyclic Agents Causing Muscle Toxicity Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals for treatment of HCV infections Antivirals used in combination for the treatment of HIV infections BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates Chemically-Induced Disorders Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (weak) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (weak) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strong) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strong) Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Enzyme Inhibitors Experimental Unapproved Treatments for COVID-19 HIV Protease Inhibitors Hyperglycemia-Associated Agents OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates Potential QTc-Prolonging Agents Protease Inhibitors QTc Prolonging Agents Sulfur Compounds Thiazoles Treatments for Hepatitis C UDP Glucuronosyltransferases Inducers UGT1A1 Inducers Viral Protease Inhibitors
Cross-references: BindingDB: 520 ChEBI: 45409 CHEMBL163 ChemSpider: 347980 Drugs Product Database (DPD): 4 C07240 D00427 PDB: RIT PharmGKB: PA451260 PubChem:392622 PubChem:46505050 RxCUI: 85762 Therapeutic Targets Database: DAP000169 Wikipedia: Ritonavir ZINC: ZINC000003944422
Target Activities (12)
Target Gene Organism Category Pfam pChEMBL Type Source
P11712 CYP2C9 Homo sapiens Human PF00067 7.8 IC50 ChEMBL
P24462 CYP3A7 Homo sapiens Human PF00067 7.4 IC50 ChEMBL
Q9HB55 CYP3A43 Homo sapiens Human PF00067 7.4 IC50 ChEMBL
P24557 TBXAS1 Homo sapiens Human PF00067 7.1 IC50 ChEMBL
Q96FL8 SLC47A1 Homo sapiens Human PF01554 7.1 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 7.0 IC50 ChEMBL;BindingDB
P20815 CYP3A5 Homo sapiens Human PF00067 6.9 Ki ChEMBL;BindingDB
Q9Y6L6 SLCO1B1 Homo sapiens Human PF07648 PF03137 6.1 IC50 ChEMBL;BindingDB
P21452 TACR2 Homo sapiens Human PF00001 6.1 Ki ChEMBL
Q9YQ12 protease Human immunodeficiency virus type 1 Pathogen PF00077 9.5 Ki ChEMBL;BindingDB
Q72874 pol Human immunodeficiency virus type 1 Pathogen PF00077 9.4 Ki ChEMBL
P04585 gag-pol Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) Pathogen PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 9.2 Ki BindingDB
DrugBank Target Actions (33)
Target Gene Target Name Action Type
P02763 P02763 Alpha-1-acid glycoprotein 1 substrate carriers
P02768 ALB Albumin substrate carriers
P05177 CYP1A2 Cytochrome P450 1A2 inducer enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inducer enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P22309 UGT1A1 UDP-glucuronosyltransferases (UGTs) inducer enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P20815 CYP3A5 Cytochrome P450 3A5 inhibitor enzymes
P24462 CYP3A7 Cytochrome P450 3A7 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P24462 CYP3A7 Cytochrome P450 3A7 substrate enzymes
O75469 NR1I2 Nuclear receptor subfamily 1 group I member 2 activator targets
P03366 gag-pol Gag-Pol polyprotein inhibitor targets
Q72874 pol Pol polyprotein inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inducer transporters
P33527 ABCC1 Multidrug resistance-associated protein 1 inducer transporters
O94956 SLCO2B1 Solute carrier organic anion transporter family member 2B1 inhibitor transporters
O95342 ABCB11 Bile salt export pump inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P33527 ABCC1 Multidrug resistance-associated protein 1 inhibitor transporters
P46721 P46721 Solute carrier organic anion transporter family member 1A2 inhibitor transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 substrate transporters