Compound Detail
CHEMBL5181002
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Basic Information
| ChEMBL ID | CHEMBL5181002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQUBXJBFLQZXKR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
4.40
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| Mineralocorticoid receptor CHEMBL3507 | Ki | 6.45 | 6.45 | 357.0 | 1 |
| Glucocorticoid receptor CHEMBL3368 | Ki | 4.54 | 4.54 | 29100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 147.0 | nM | 6.83 | Displacement of [3H]-aldosterone from recombinant human mineralocorticoid recept... | 35652647 |
| Mineralocorticoid receptor | Ki | = | 357.0 | nM | 6.45 | Displacement of [3H]-aldosterone from rat mineralocorticoid receptor incubated o... | 35652647 |
| Glucocorticoid receptor | Ki | = | 29100.0 | nM | 4.54 | Displacement of [3H]-dexamethasone from rat glucocorticoid receptor incubated ov... | 35652647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Mineralocorticoid receptor | 2 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine