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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: | insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. 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. HIV protease inhibitor An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. 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 |
|---|