Compound Detail
CHEMBL2079130
VONOPRAZAN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2079130 |
| Name | VONOPRAZAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BFDBKMOZYNOTPK-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
7
Publications
4
Known Names
4
Indications
Molecular Properties
345.4
MW (Da)
2.65
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2022 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Gastroesophageal Reflux Peptic Ulcer Helicobacter Infections Esophagitis
ATC Classification
A02BC08
vonoprazan
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR ACID RELATED DISORDERS
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.82 | 7.93 | 1.5 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 99.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 27.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 49.22 | nM | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
| T1/2 | 1.2 | hr | Rattus norvegicus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... | 35604136 |
| Unchecked | IC50 | = | 22.0 | nM | 7.66 | Proton Potassium-adenosine Triphosphatase (H+,K+-ATPase) Inhibitory Activity : A... | - |
| Unchecked | IC50 | = | 49.1 | nM | 7.31 | Inhibition of rabbit stomach K+ stimulated H(+)/K(+) ATPase activity incubated f... | 35477061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35477061 | 10.1016/j.bmc.2022.116765 | ADMET | 6 |
| 28442261 | 10.1016/j.bmc.2017.04.014 | No relevant target | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 35477061 | 10.1016/j.bmc.2022.116765 | Unchecked | 2 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 35604136 | 10.1021/acs.jmedchem.2c00338 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine