Compound Detail
CHEMBL345766
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Basic Information
| ChEMBL ID | CHEMBL345766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPDAPNYKYXQOTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.14
ALogP
6
HBA
0
HBD
66.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 95000.0 | nM | 4.02 | In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane v... | 8558532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558532 | 10.1021/jm950610n | Potassium-transporting ATPase | 2 |
Data from ChEMBL 36 via Core Engine