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dolutegravir
| 别名 | GSK1349572, GSK-1349572, GSK 1349572, S-349572, Tivicay® |
|---|---|
| Compound Class | Synthetic organic |
| 变动原因 | Dolutegravir is an HIV viral integrase inhibitor class drug. |
| Related Product | 度鲁特韦 (GSK1349572) |
Summary
| 是否批准为药物？ | (FDA (2013), EMA (2014)) |
|---|---|
| IUPAC Name | (4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide |
| 别名 | GSK1349572, GSK-1349572, GSK 1349572, S-349572, Tivicay® |
数据库链接
| PubChem CID | 54726191 |
|---|---|
| Wikipedia | Dolutegravir |
| CAS Registry No. | 1051375-16-6 |
| ChEMBL Ligand | CHEMBL1229211 |
| DrugBank Ligand | DB08930 |
| RCSB PDB Ligand | DLU |
| DrugCentral Ligand | 4805 |
生物活性
| 生物活性评价 |
The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in |
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临床资料
| Summary of Clinical Use | Used in conjunction with other antiretroviral agents in the treatment of HIV-1 infection in adults and children aged over 12 years weighing over 40kg. Dovato, a fixed-dose combination of dolutegravir sodium + lamivudine was approved by the EMA in 2022. |
|---|---|
| 作用机制与药效学效应 | Prevents retroviral DNA integration by binding to the active site of HIV integrase and blocking strand transfer. |
结构
| Canonical SMILES | Fc1ccc(c(c1)F)CNC(=O)c1cn2CC3OCCC(N3C(=O)c2c(c1=O)O)C |
|---|---|
| Isomeric SMILES | Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@@H]3OCC[C@H](N3C(=O)c2c(c1=O)O)C |
| 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 |
| InChI key | RHWKPHLQXYSBKR-BMIGLBTASA-N |
危险品化学品经营许可证（带存储）