Chemical Information
Antiviral agent ID	DrugRepV_6826
Antiviral agent name	Dolutegravir
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
SMILES (canonical)	CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
SMILES (isomeric)	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
Molecular Formula	C20H19F2N3O5
Molecular Weight (g/mol)	419.385
InChl	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
Common Name	Dolutegravir
Structural Information
Clinical Information
Category	Antiinfectives For Systemic Use
Primary Indication (Clinical trial phases)	Approved
Biological Information
Primary Indication (Disease Category)	Infectious Disease
Primary Indication (Disease)	Acquired immunodeficiency syndrome
Secondary Indication	Human immunodeficiency virus (HIV) 1 T97A/Y143R/N155H
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Mode of viral infection)	Adsorption
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Drug concentration)	8.5 ± 1.5 nM
Secondary Indication (Cell based assay)	Single-round viral replication assay
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	EC50 [ 50 % ]
Reference	Smith SJ, Zhao XZ, Burke TR Jr, Hughes SH..Efficacies of Cabotegravir and Bictegravir against drug-resistant HIV-1 integrase mutants..Retrovirology. 2018 May 16;15(1):37. doi: 10.1186/s12977-018-0420-7. PMID:29769116
Comment	Antiviral activities of Bictegravir and Cabotegravir against primary INSTI-resistant mutants.