Compound Detail
CHEMBL54511
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Basic Information
| ChEMBL ID | CHEMBL54511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZENCZPCSRXPSL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
4.59
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095199 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of rat isolated gastric (H(+)/K(+))-ATPase. | 1316968 |
| Potassium-transporting ATPase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of K+ stimulated gastric ATPase activity | 7629814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1316968 | 10.1021/jm00088a021 | Rattus norvegicus | 2 |
| 1316968 | 10.1021/jm00088a021 | Canis familiaris | 2 |
| 1316968 | 10.1021/jm00088a021 | Potassium-transporting ATPase | 1 |
| 7629814 | 10.1021/jm00014a027 | Potassium-transporting ATPase | 1 |
Data from ChEMBL 36 via Core Engine