Compound Detail
CHEMBL2105642
ESOMEPRAZOLE POTASSIUM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2105642 |
| Name | ESOMEPRAZOLE POTASSIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOFFPEFVSRGLOZ-JIDHJSLPSA-N |
| Parent Compound | CHEMBL1201320 |
| Active Moiety | CHEMBL1201400 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names
Molecular Properties
345.4
MW (Da)
2.90
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 6.54 | 6.54 | 291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 291.0 | nM | 6.54 | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | 22586124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium falciparum | 2 |
| 22586124 | 10.1073/pnas.1118370109 | HepG2 | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine