Dolutegravir sodiumProduct ingredient for Dolutegravir
- Name
- Dolutegravir sodium
- Drug Entry
- Dolutegravir
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).1 The effect of this drug has no homology in human host cells, which gives it excellent tolerability and minimal toxicity.11 Dolutegravir was developed by ViiV Healthcare and FDA-approved on August 12, 2013.16 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.17
- Accession Number
- DBSALT000943
- Structure
- Synonyms
- Dolutegravir sodium
- UNII
- 1Q1V9V5WYQ
- CAS Number
- 1051375-19-9
- Weight
- Average: 441.367
Monoisotopic: 441.1112213 - Chemical Formula
- C20H18F2N3NaO5
- InChI Key
- UGWJRRXTMKRYNK-VSLILLSYSA-M
- InChI
- InChI=1S/C20H19F2N3O5.Na/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);/q;+1/p-1/t10-,15+;/m1./s1
- IUPAC Name
- sodium (3S,7R)-13-{[(2,4-difluorophenyl)methyl]carbamoyl}-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-dien-11-olate
- SMILES
- [Na+].C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C([O-])=C3C(=O)N12
- External Links
- PubChem Compound
- 46216142
- ChemSpider
- 25060241
- BindingDB
- 50483553
- ChEBI
- 76007
- ChEMBL
- CHEMBL1213165
- Wikipedia
- Dolutegravir
- Predicted Properties
Property Value Source Water Solubility 0.269 mg/mL ALOGPS logP 1.72 ALOGPS logP 1.1 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 10.1 Chemaxon pKa (Strongest Basic) -0.51 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 102.01 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 113.32 m3·mol-1 Chemaxon Polarizability 39.36 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon