DLU
(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
Find entries where: DLU
is present as a standalone ligand in 20 entries
Chemical Component Summary | |
|---|---|
| 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 | Dolutegravir |
| Identifiers | n/a |
| Formula | C20 H19 F2 N3 O5 |
| Molecular Weight | 419.379 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O |
| 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 |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 2 |
| Bond Count | 52 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB08930? |
|---|---|
| Name | Dolutegravir |
| Groups | approved |
| Description | Dolutegravir is an HIV-1 integrase inhibitor that blocks the strand transfer step of the integration of the viral genome into the host cell (INSTI).[A7514] The effect of this drug has no homology in human host cells, which gives it excellent tolerability and minimal toxicity.[A31342] Dolutegravir was developed by ViiV Healthcare and FDA-approved on August 12, 2013.[L1035] On November 21, 2017, dolutegravir, in combination with rilpivirine, was approved as part of the first complete treatment regimen with only two drugs for the treatment of adults with HIV-1 named Juluca.[L1031] |
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| Brand Names |
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| Indication | Dolutegravir is indicated in combination with other antiretroviral agents for the treatment of patients with HIV-1 infection that comply with the characteristics of being adults or children aged 12 years and older and present at least a weight of 40 kg.[A7520] The FDA combination therapy approval of dolutegravir and [rilpivirine] is indicated for adults with HIV-1 infections whose virus is currently suppressed (< 50 copies/ml) on a stable regimen for at least six months, without history of treatment failure and no known substitutions associated to resistance to any of the two components of the therapy.[L1031] Dolutegravir is also available in combination with [lamivudine] and [abacavir] for the treatment of adult and pediatric patients with HIV-1 who weigh ¡Ý10kg.[L41365] |
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| CAS number | 1051375-16-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Integrase | FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAM... | unknown | inhibitor |
| UDP-glucuronosyltransferase 1-1 | MAVESQGGRPLVLGLLLCVLGPVVSHAGKILLIPVDGSHWLSMLGAIQQL... | unknown | substrate |
| Cytochrome P450 3A Subfamily | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate |
| UDP-glucuronosyltransferase 1-3 | MATGLQVPLPWLATGLLLLLSVQPWAESGKVLVVPIDGSHWLSMREVLRE... | unknown | substrate |
| UDP-glucuronosyltransferase 1-9 | MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL... | unknown | substrate |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL1229211 |
| PubChem | 54726191 |
| ChEMBL | CHEMBL1229211 |
| ChEBI | CHEBI:76010 |
