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CHEBI:367163 - darunavir
| Formula | C27H37N3O7S |
| Net Charge | 0 |
| Average Mass | 547.674 |
| Monoisotopic Mass | 547.23522 |
| SMILES | [H][C@]12OCC[C@@]1([H])[C@@H](OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)CO2 |
| InChI | InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 |
| InChIKey | CJBJHOAVZSMMDJ-HEXNFIEUSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. 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. insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). |
| Applications: | 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. insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| darunavir (CHEBI:367163) has role anti-HIV agent (CHEBI:64946) |
| darunavir (CHEBI:367163) has role antifungal agent (CHEBI:35718) |
| darunavir (CHEBI:367163) has role antiinfective agent (CHEBI:35441) |
| darunavir (CHEBI:367163) has role antiviral agent (CHEBI:22587) |
| darunavir (CHEBI:367163) has role antiviral drug (CHEBI:36044) |
| darunavir (CHEBI:367163) has role HIV protease inhibitor (CHEBI:35660) |
| darunavir (CHEBI:367163) has role insulin-sensitizing drug (CHEBI:50864) |
| darunavir (CHEBI:367163) is a carbamate ester (CHEBI:23003) |
| darunavir (CHEBI:367163) is a furofuran (CHEBI:47790) |
| darunavir (CHEBI:367163) is a sulfonamide (CHEBI:35358) |
| Incoming Relation(s) |
| Prezcobix (CHEBI:90928) has part darunavir (CHEBI:367163) |
| IUPAC Name |
|---|
| (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| INNs | Source |
|---|---|
| darunavir | ChemIDplus |
| darunavirum | ChemIDplus |
| Synonyms | Source |
|---|---|
| {(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester | ChEMBL |
| (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate | ChemIDplus |
| (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | PDBeChem |
| (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate | ChEMBL |
| (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate | ChEMBL |
| (-)-darunavir | ChEMBL |
| Brand Names | Source |
|---|---|
| Darunavir component of prezcobix | ChEMBL |
| Darunavir component of symtuza | ChEMBL |
| Darunavir krka | ChEMBL |
| Darunavir krka d.d. | ChEMBL |
| Darunavir viatris (previously darunavir mylan) | ChEMBL |
| Citations |
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