Compound Detail
CHEMBL4297503
BALOXAVIR MARBOXIL 💊 Approved Drug
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💊 Approved Drug
COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O
Basic Information
| ChEMBL ID | CHEMBL4297503 |
| Name | BALOXAVIR MARBOXIL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RZVPBGBYGMDSBG-GGAORHGYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL4297215 |
1
Targets
1
Activities
1
Assay Types
30
PK Parameters
8
Publications
3
Known Names
5
Indications
2
Mechanisms
Molecular Properties
571.6
MW (Da)
3.39
ALogP
10
HBA
0
HBD
99.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Polymerase acidic protein inhibitor | INHIBITOR | Polymerase acidic protein | ✓ | ✓ |
| Polymerase acidic protein inhibitor | INHIBITOR | Polymerase acidic protein | ✓ | ✓ |
Indications
Influenza, Human Virus Diseases Pneumonia Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome
ATC Classification
J05AX25
baloxavir marboxil
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 715.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 452.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 558.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1390.0 | hr.ng/g | Mus musculus |
| AUC | 85348.0 | hr.ng/g | Mus musculus |
| AUC | 21287.0 | hr.ng/g | Mus musculus |
| AUC | 9025.0 | hr.ng/g | Mus musculus |
| AUC | 9025.0 | hr.ng/g | Mus musculus |
| AUC | 106028.0 | hr.ng/g | Mus musculus |
| AUC | 411.0 | hr.ng/g | Mus musculus |
| AUC | 3640.0 | hr.ng/g | Mus musculus |
| AUC | 502.97 | ng.hr.mL-1 | Mus musculus |
| AUClast | 11909.0 | hr.ng/g | Mus musculus |
| AUClast | 1381.0 | hr.ng/g | Mus musculus |
| AUClast | 85226.0 | hr.ng/g | Mus musculus |
| AUClast | 21162.0 | hr.ng/g | Mus musculus |
| AUClast | 8959.0 | hr.ng/g | Mus musculus |
| AUClast | 8959.0 | hr.ng/g | Mus musculus |
| AUClast | 105778.0 | hr.ng/g | Mus musculus |
| AUClast | 317.0 | hr.ng/g | Mus musculus |
| AUClast | 3611.0 | hr.ng/g | Mus musculus |
| AUClast | 4716.0 | hr.ng/g | Mus musculus |
| Cmax | 246.69 | nM | Mus musculus |
| Cmax | 1517.0 | ng/g | Mus musculus |
| Cmax | 154.84 | nM | Mus musculus |
| Cmax | 215.0 | ng/g | Mus musculus |
| Cmax | 15342.0 | ng/g | Mus musculus |
| Cmax | 2998.0 | ng/g | Mus musculus |
| Cmax | 1188.0 | ng/g | Mus musculus |
| Cmax | 1188.0 | ng/g | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 530.0 | nM | 6.28 | Inhibition of Influenza A virus CEN | 34213340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787099 | 10.1021/acs.jmedchem.0c00565 | ADMET | 88 |
| 32787099 | 10.1021/acs.jmedchem.0c00565 | Influenza A virus | 3 |
| 38301207 | 10.1021/acs.jmedchem.3c01715 | ADMET | 3 |
| 32787099 | 10.1021/acs.jmedchem.0c00565 | No relevant target | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | Polymerase acidic protein | 1 |
| 38301207 | 10.1021/acs.jmedchem.3c01715 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine