| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H19F2N3O4S |
| Molecular Weight | 483.487 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12COCCN1C(=O)C3=C(O)C(=O)C=CN3N2[C@@H]4C5=C(SCC6=C4C=CC(F)=C6F)C=CC=C5
InChI
InChIKey=FIDLLEYNNRGVFR-CTNGQTDRSA-N
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
| Molecular Formula | C24H19F2N3O4S |
| Molecular Weight | 483.487 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Baloxavir or Baloxavir acid was developed by Shionogi and Co., Ltd as a selective inhibitor of the cap-dependent endonuclease (CEN) activity. CEN resides in the PA subunit of the influenza virus and mediates the critical "cap-snatching" step of viral RNA transcription. Thus Baloxavir can inhibit the influenza virus replication and now this drug is under investigation in clinical trial NCT04327791 (Combination Therapy With Baloxavir and Oseltamavir 1 for Hospitalized Patients With Influenza).
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 2.5 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Curative |
Sample Use Guides
Baloxavir: 40 mg po once for wt < 80 kg OR 80 mg po once for wt >/= 80 kg
Route of Administration:
Oral
To assess the inhibitory effects of Baloxavir acid (BXA) on Cap-dependent endonuclease (CEN) and RNA-dependent RNA polymerase (RdRp) activities as well as the sequential reaction of CEN and RdRp (CEN/RdRp), recombinant 3Ptap derived from A/WSN/33 (H1N1) was subjected to a transcription assay. BXA inhibited CEN and CEN/RdRp activities with mean IC50 of 2.5 and 1.6 nM, respectively, while low potency (IC50 >40 nM) was observed against RdRp activity, suggesting that BXA selectively inhibits CEN activity.
