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CHEBI:31781 - lopinavir
| Formula | C37H48N4O5 |
| Net Charge | 0 |
| Average Mass | 628.814 |
| Monoisotopic Mass | 628.36247 |
| SMILES | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O |
| InChI | InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 |
| InChIKey | KJHKTHWMRKYKJE-SUGCFTRWSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. antiviral agent A substance that destroys or inhibits replication of viruses. HIV protease inhibitor An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. 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. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Applications: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. central nervous system stimulant Any drug that enhances the activity of the central nervous system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lopinavir (CHEBI:31781) has role anti-HIV agent (CHEBI:64946) |
| lopinavir (CHEBI:31781) has role anticoronaviral agent (CHEBI:149553) |
| lopinavir (CHEBI:31781) has role antiinfective agent (CHEBI:35441) |
| lopinavir (CHEBI:31781) has role antimicrobial agent (CHEBI:33281) |
| lopinavir (CHEBI:31781) has role antineoplastic agent (CHEBI:35610) |
| lopinavir (CHEBI:31781) has role antitubercular agent (CHEBI:33231) |
| lopinavir (CHEBI:31781) has role antiviral agent (CHEBI:22587) |
| lopinavir (CHEBI:31781) has role antiviral drug (CHEBI:36044) |
| lopinavir (CHEBI:31781) has role HIV protease inhibitor (CHEBI:35660) |
| lopinavir (CHEBI:31781) has role insulin-sensitizing drug (CHEBI:50864) |
| lopinavir (CHEBI:31781) is a amphetamines (CHEBI:35338) |
| lopinavir (CHEBI:31781) is a dicarboxylic acid diamide (CHEBI:35779) |
| Incoming Relation(s) |
| Kaletra (CHEBI:145924) has part lopinavir (CHEBI:31781) |
| IUPAC Name |
|---|
| (2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide |
| Synonyms | Source |
|---|---|
| A-157378-0 | ChEMBL |
| A-157378.0 | ChEMBL |
| ABT-378 | ChEMBL |
| Lopinavir | KEGG COMPOUND |
| Lopinavir- | ChEMBL |
| Lopinavir, (s-(2s,4s,5s))- | ChEMBL |
| Brand Name | Source |
|---|---|
| Lopinavir component of kaletra | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9309881 | Reaxys |
| CAS:192725-17-0 | ChemIDplus |
| CAS:192725-17-0 | KEGG COMPOUND |
| Citations |
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