BALOXAVIR

Details

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

Structure Search

SMILES

OC1=C2N(C=CC1=O)N([C@@H]3COCCN3C2=O)[C@@H]4C5=CC=CC=C5SCC6=C(F)C(F)=CC=C46

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

HIDE SMILES / InChI

Molecular Formula	C24H19F2N3O4S
Molecular Weight	483.487
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://pubmed.ncbi.nlm.nih.gov/30316915 | https://clinicaltrials.gov/ct2/show/NCT04327791 |https://pubmed.ncbi.nlm.nih.gov/30316915/

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
Polymerase acidic protein 2 Target ID: CHEMBL2040544 Sources: https://pubmed.ncbi.nlm.nih.gov/30316915/	Inhibitor 8504		2.5 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Influenza 2 Sources: https://clinicaltrials.gov/ct2/show/NCT04327791	Curative		Phase II 1147

C_max

Value	Dose	Analyte	Population
123 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
253 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
49.1 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
25.7 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FED
96.4 ng/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN
107 ng/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
6669 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
11970 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
3867 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
2429 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FED
6160 ng × h/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN
8009 ng × h/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

T_1/2

Value	Dose	Analyte	Population
85.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
75.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
104 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
114 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30288682/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FED
79.1 h DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN
79.1 h DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	BALOXAVIR plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

Sample Use Guides

In Vivo Use Guide

Baloxavir: 40 mg po once for wt < 80 kg OR 80 mg po once for wt >/= 80 kg

Route of Administration: Oral

In Vitro Use Guide

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.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:19:55 GMT 2025` Edited by `admin` on `Mon Mar 31 23:19:55 GMT 2025`
Record UNII	4G86Y4JT3F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALOXAVIR

Official Name

English

1H-(1,4)OXAZINO(3,4-C)PYRIDO(2,1-F)(1,2,4)TRIAZINE-6,8-DIONE, 12-((11S)-7,8-DIFLUORO-6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YL)-3,4,12,12A-TETRAHYDRO-7-HYDROXY-, (12AR)-

Preferred Name

English

(12aR)-12-[(11S)-7,8-Difluoro-6,11-dihydrodibenzo[b,E]thiepin-11-yl]-7-hydroxy-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione

Systematic Name

English

S-033447

Code

English

BALOXAVIR [MI]

Common Name

English

BALOXAVIR [USAN]

Common Name

English

Code System Code Type Description

DAILYMED

4G86Y4JT3F