BALOXAVIR

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 4G86Y4JT3F

Structure

InChI Key FIDLLEYNNRGVFR-CTNGQTDRSA-N
Smiles O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12
InChI
InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H19F2N3O4S
Molecular Weight 483.5
AlogP 2.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 75.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Polymerase acidic protein inhibitor INHIBITOR FDA FDA PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Influenza A virus
0.9 - - - -
Influenza A virus (A/California/04/2009(H1N1))
- - - - 99.6-99.7
Influenza A virus (A/California/07/2009(H1N1))
- 24 - - -
influenza A virus
3-170 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297215
DrugBank DB15675
FDA SRS 4G86Y4JT3F
PDB E4Z
PubChem 124081876
SureChEMBL SCHEMBL20101933
CONTENTS