dolutegravir

Ligand id: 7365

Name: dolutegravir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 99.18
Molecular weight 419.13
XLogP 1.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2013))
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
International Nonproprietary Names
INN number INN
9261 dolutegravir
Synonyms
GSK 1349572 | GSK-1349572 | GSK1349572 | S-349572 | Tivicay®
Database Links
CAS Registry No. 1051375-16-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1229211
DrugBank Ligand DB08930
PubChem CID 54726191
RCSB PDB Ligand DLU
Search Google for chemical match using the InChIKey RHWKPHLQXYSBKR-BMIGLBTASA-N
Search Google for chemicals with the same backbone RHWKPHLQXYSBKR
Search PubMed clinical trials dolutegravir
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Search UniChem for chemical match using the InChIKey RHWKPHLQXYSBKR-BMIGLBTASA-N
Search UniChem for chemicals with the same backbone RHWKPHLQXYSBKR
Wikipedia Dolutegravir
Comments
Dolutegravir is a viral integrase inhibitor class drug.