Compound Detail
CHEMBL1200930
RABEPRAZOLE SODIUM 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1200930 |
| Name | RABEPRAZOLE SODIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KRCQSTCYZUOBHN-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1219 |
| Active Moiety | CHEMBL1219 |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
10
Publications
13
Known Names
7
Indications
1
Mechanisms
Molecular Properties
359.4
MW (Da)
2.99
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1999 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Potassium-transporting ATPase inhibitor | INHIBITOR | Potassium-transporting ATPase | ✓ | ✓ |
Indications
Duodenal Ulcer Gastroesophageal Reflux Zollinger-Ellison Syndrome Cerebrovascular Disorders Helicobacter Infections Esophagitis, Peptic Laryngopharyngeal Reflux
Activity Summary
IC50 3 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.47 | 4.47 | 33900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5212.02 | ng.hr.mL-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 740.0 | nM | 6.13 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of H+/K+ATPase in pig gastric microsome assessed as liberation of ino... | 21684741 |
| Bile salt export pump | IC50 | = | 33900.0 | nM | 4.47 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| 21684741 | 10.1016/j.bmcl.2011.05.080 | Unchecked | 2 |
| 23956101 | 10.1093/toxsci/kft176 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 23956101 | 10.1093/toxsci/kft176 | Bile salt export pump | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 3 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 4 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine