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CHEBI:72291 - cobicistat
| Formula | C40H53N7O5S2 |
| Net Charge | 0 |
| Average Mass | 776.042 |
| Monoisotopic Mass | 775.35496 |
| SMILES | CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |
| InChI | InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 |
| InChIKey | ZCIGNRJZKPOIKD-CQXVEOKZSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antiviral agent A substance that destroys or inhibits replication of viruses. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). 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. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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). 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cobicistat (CHEBI:72291) has role anti-HIV agent (CHEBI:64946) |
| cobicistat (CHEBI:72291) has role antifungal agent (CHEBI:35718) |
| cobicistat (CHEBI:72291) has role antiinfective agent (CHEBI:35441) |
| cobicistat (CHEBI:72291) has role antimalarial (CHEBI:38068) |
| cobicistat (CHEBI:72291) has role antineoplastic agent (CHEBI:35610) |
| cobicistat (CHEBI:72291) has role antiviral agent (CHEBI:22587) |
| cobicistat (CHEBI:72291) has role insulin-sensitizing drug (CHEBI:50864) |
| cobicistat (CHEBI:72291) has role P450 inhibitor (CHEBI:50183) |
| cobicistat (CHEBI:72291) is a 1,3-thiazoles (CHEBI:38418) |
| cobicistat (CHEBI:72291) is a carbamate ester (CHEBI:23003) |
| cobicistat (CHEBI:72291) is a monocarboxylic acid amide (CHEBI:29347) |
| cobicistat (CHEBI:72291) is a morpholines (CHEBI:38785) |
| cobicistat (CHEBI:72291) is a ureas (CHEBI:47857) |
| Incoming Relation(s) |
| Genvoya (CHEBI:90922) has part cobicistat (CHEBI:72291) |
| Prezcobix (CHEBI:90928) has part cobicistat (CHEBI:72291) |
| IUPAC Name |
|---|
| 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| INNs | Source |
|---|---|
| cobicistat | KEGG DRUG |
| cobicistat | WHO MedNet |
| cobicistat | WHO MedNet |
| cobicistatum | WHO MedNet |
| Synonyms | Source |
|---|---|
| Cobicistat on silicon dioxide | ChEMBL |
| Cobicistat, (r,r,s)- | ChEMBL |
| GS 9350 | ChemIDplus |
| GS-9350 | ChemIDplus |
| Brand Names | Source |
|---|---|
| Cobicistat component of evotaz | ChEMBL |
| Cobicistat component of genvoya | ChEMBL |
| Cobicistat component of prezcobix | ChEMBL |
| Cobicistat component of rezolsta | ChEMBL |
| Cobicistat component of stribild | ChEMBL |
| Cobicistat component of symtuza | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 4299 | DrugCentral |
| Cobicistat | Wikipedia |
| US2010256366 | Patent |
| WO2008010921 | Patent |
| WO2012151165 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:13088386 | Reaxys |
| CAS:1004316-88-4 | KEGG DRUG |
| CAS:1004316-88-4 | ChemIDplus |
| Citations |
|---|