Compound Detail
CHEMBL54912
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Basic Information
| ChEMBL ID | CHEMBL54912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXWUACXMDJLJHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.98
ALogP
4
HBA
2
HBD
50.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095199 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 220.0 | nM | 6.66 | Inhibition of rat isolated gastric (H(+)/K(+))-ATPase. | 1316968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1316968 | 10.1021/jm00088a021 | Potassium-transporting ATPase | 1 |
| 1316968 | 10.1021/jm00088a021 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine