Chemical Information
Antiviral agent ID	DrugRepV_6803
Antiviral agent name	Cabotegravir
IUPAC Name	(3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
SMILES (canonical)	CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
SMILES (isomeric)	C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
Molecular Formula	C19H17F2N3O5
Molecular Weight (g/mol)	405.358
InChl	InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
Common Name	Cabotegravir
Synonyms	CAB | SCHEMBL82803 | hexahydrooxazolo(3,2-a)pyrido(1,2-d)pyrazine-8-carboxamide | 8-CARBOXYLIC ACID
Structural Information
Clinical Information
Category	Antiviral
Primary Indication (Clinical trial phases)	Phase I
Biological Information
Primary Indication (Disease Category)	Infectious Disease
Primary Indication (Disease)	Acquired immunodeficiency syndrome
Secondary Indication	Human immunodeficiency virus (HIV) 1 97A/Y143R/Q148H
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)	5.3 ± 0.7 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.