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CHEBI:45409 - ritonavir
| Formula | C37H48N6O5S2 |
| Net Charge | 0 |
| Average Mass | 720.962 |
| Monoisotopic Mass | 720.31276 |
| SMILES | CC(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 |
| 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 |
| InChIKey | NCDNCNXCDXHOMX-XGKFQTDJSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antiviral agent A substance that destroys or inhibits replication of viruses. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. HIV protease inhibitor An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. |
| Applications: | renoprotective agent Any compound that is able to prevent damage to the kidneys. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. vasodilator agent A drug used to cause dilation of the blood vessels. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ritonavir (CHEBI:45409) has role anti-HBV agent (CHEBI:64951) |
| ritonavir (CHEBI:45409) has role anti-HIV agent (CHEBI:64946) |
| ritonavir (CHEBI:45409) has role antibacterial agent (CHEBI:33282) |
| ritonavir (CHEBI:45409) has role anticoronaviral agent (CHEBI:149553) |
| ritonavir (CHEBI:45409) has role antihypertensive agent (CHEBI:35674) |
| ritonavir (CHEBI:45409) has role antiinfective agent (CHEBI:35441) |
| ritonavir (CHEBI:45409) has role antimalarial (CHEBI:38068) |
| ritonavir (CHEBI:45409) has role antimicrobial agent (CHEBI:33281) |
| ritonavir (CHEBI:45409) has role antineoplastic agent (CHEBI:35610) |
| ritonavir (CHEBI:45409) has role antitubercular agent (CHEBI:33231) |
| ritonavir (CHEBI:45409) has role antiviral agent (CHEBI:22587) |
| ritonavir (CHEBI:45409) has role antiviral drug (CHEBI:36044) |
| ritonavir (CHEBI:45409) has role environmental contaminant (CHEBI:78298) |
| ritonavir (CHEBI:45409) has role HIV protease inhibitor (CHEBI:35660) |
| ritonavir (CHEBI:45409) has role insulin-sensitizing drug (CHEBI:50864) |
| ritonavir (CHEBI:45409) has role renoprotective agent (CHEBI:231911) |
| ritonavir (CHEBI:45409) has role vasodilator agent (CHEBI:35620) |
| ritonavir (CHEBI:45409) has role xenobiotic (CHEBI:35703) |
| ritonavir (CHEBI:45409) is a L-valine derivative (CHEBI:84129) |
| ritonavir (CHEBI:45409) is a 1,3-thiazoles (CHEBI:38418) |
| ritonavir (CHEBI:45409) is a carbamate ester (CHEBI:23003) |
| ritonavir (CHEBI:45409) is a carboxamide (CHEBI:37622) |
| ritonavir (CHEBI:45409) is a ureas (CHEBI:47857) |
| Incoming Relation(s) |
| Kaletra (CHEBI:145924) has part ritonavir (CHEBI:45409) |
| Paxlovid (CHEBI:192712) has part ritonavir (CHEBI:45409) |
| Technivie (CHEBI:90919) has part ritonavir (CHEBI:45409) |
| Viekira Pak (CHEBI:85177) has part ritonavir (CHEBI:45409) |
| IUPAC Name |
|---|
| N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
| INN | Source |
|---|---|
| ritonavir | ChemIDplus |
| Synonyms | Source |
|---|---|
| A-84538 | ChEMBL |
| ABBOTT-84538 | ChEMBL |
| Empetus | ChEMBL |
| NSC-693184 | ChEMBL |
| Ritomune | ChEMBL |
| Ritonavir related compounds mixture | ChEMBL |
| Brand Names | Source |
|---|---|
| Ritonavir component of kaletra | ChEMBL |
| Ritonavir component of paxlovid | ChEMBL |
| Ritonavir component of technivie | ChEMBL |
| Ritonavir component of viekirax | ChEMBL |
| Ritonavir component of xiannuoxin | ChEMBL |
| Ritonavir mylan | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| Reaxys:768009 | Reaxys |
| CAS:155213-67-5 | KEGG COMPOUND |
| CAS:155213-67-5 | ChemIDplus |
| Citations |
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