Compound Detail
CHEMBL137379
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Basic Information
| ChEMBL ID | CHEMBL137379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSNYHSYWZXMKQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.71
ALogP
4
HBA
1
HBD
46.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 530.0 | nM | 6.28 | Inhibition of H+/K+ ATPase as reduced acid formation in rabbit gastric glands | 9046332 |
| Potassium-transporting ATPase | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of purified H+/K+ ATPase at pH 7.4 as released inorganic phosphate fr... | 9046332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4009611 | 10.1021/jm00145a006 | Canis familiaris | 5 |
| 9046332 | 10.1021/jm950700s | Potassium-transporting ATPase | 2 |
| 9046332 | 10.1021/jm950700s | Canis familiaris | 2 |
| 4009611 | 10.1021/jm00145a006 | Rattus norvegicus | 2 |
| 9046332 | 10.1021/jm950700s | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine