Molecule Details
InChIKeyFIDLLEYNNRGVFR-CTNGQTDRSA-N
Canonical SMILESO=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.78
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB15675
Drug NameBaloxavir
CAS Number1985605-59-1
Groups investigational
ATC Codes nan
DescriptionBaloxavir is under investigation in clinical trial NCT04327791 (Combination Therapy With Baloxavir and Oseltamavir 1 for Hospitalized Patients With Influenza (The COMBO Trial 1)).

Categories: Anti-Infective Agents Antiviral Agents Baloxavir and prodrugs Chelating Activity Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Oxazines Polymerase Acidic Endonuclease Inhibitors Pyridines Sulfur Compounds Thiepins
Cross-references: ChemSpider: 64854031 PDB: E4Z RxCUI: 2197842 Wikipedia: Baloxavir_marboxil
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
H2KIV1 PB1 Influenza A virus (strain A/Puerto Rico/8/1934 H1N1) Pathogen PF00602 8.8 IC50 BindingDB
P03433 PA Influenza A virus (strain A/Puerto Rico/8/1934 H1N1) Pathogen PF00603 8.7 IC50 ChEMBL;BindingDB