Compound Detail
CHEMBL54932
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Basic Information
| ChEMBL ID | CHEMBL54932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDBZSVUOKDIEDL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.57
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4) | 9873457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873457 | 10.1016/s0960-894x(98)00334-5 | Potassium-transporting ATPase | 2 |
Data from ChEMBL 36 via Core Engine