Compound Detail
CHEMBL5204612
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Basic Information
| ChEMBL ID | CHEMBL5204612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWOXPTDTALDXPN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
2.25
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL3507 | Ki | 5.76 | 5.76 | 1750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 1750.0 | nM | 5.76 | Displacement of [3H]-aldosterone from rat mineralocorticoid receptor incubated o... | 35652647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Mineralocorticoid receptor | 1 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine