Compound Detail
CHEMBL330691
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Basic Information
| ChEMBL ID | CHEMBL330691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYUIIUVGSHVXNZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
5.69
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of K+ stimulated gastric ATPase activity | 7629814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629814 | 10.1021/jm00014a027 | Potassium-transporting ATPase | 2 |
Data from ChEMBL 36 via Core Engine