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CHEBI:76010 - dolutegravir
| Formula | C20H19F2N3O5 |
| Net Charge | 0 |
| Average Mass | 419.384 |
| Monoisotopic Mass | 419.12928 |
| SMILES | [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |
| InChI | InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1 |
| InChIKey | RHWKPHLQXYSBKR-BMIGLBTASA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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. 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. HIV-1 integrase inhibitor An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells. |
| Applications: | 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. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dolutegravir (CHEBI:76010) has role anti-HIV agent (CHEBI:64946) |
| dolutegravir (CHEBI:76010) has role antiinfective agent (CHEBI:35441) |
| dolutegravir (CHEBI:76010) has role antimalarial (CHEBI:38068) |
| dolutegravir (CHEBI:76010) has role antiviral agent (CHEBI:22587) |
| dolutegravir (CHEBI:76010) has role HIV-1 integrase inhibitor (CHEBI:67268) |
| dolutegravir (CHEBI:76010) is a difluorobenzene (CHEBI:38582) |
| dolutegravir (CHEBI:76010) is a monocarboxylic acid amide (CHEBI:29347) |
| dolutegravir (CHEBI:76010) is a organic heterotricyclic compound (CHEBI:26979) |
| dolutegravir (CHEBI:76010) is a secondary carboxamide (CHEBI:140325) |
| dolutegravir (CHEBI:76010) is conjugate acid of dolutegravir(1−) (CHEBI:76014) |
| Incoming Relation(s) |
| dolutegravir(1−) (CHEBI:76014) is conjugate base of dolutegravir (CHEBI:76010) |
| IUPAC Name |
|---|
| (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
| Synonyms | Source |
|---|---|
| Dolutegravir | ChEMBL |
| GSK-1349572 | ChEMBL |
| GSK1349572 | ChEMBL |
| S/GSK1349572 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 4805 | DrugCentral |
| D10066 | KEGG DRUG |
| DLU | PDBeChem |
| Dolutegravir | Wikipedia |
| EP2602260 | Patent |
| WO2006116764 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:12732602 | Reaxys |
| CAS:1051375-16-6 | KEGG DRUG |
| CAS:1051375-16-6 | ChemIDplus |
| Citations |
|---|