Compound Detail
CHEMBL2181930
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Basic Information
| ChEMBL ID | CHEMBL2181930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHXBKNOADUCFQA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.51
ALogP
5
HBA
2
HBD
67.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL3507 | IC50 | 7.68 | 7.68 | 21.0 | 2 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 21.0 | nM | 7.68 | Displacement of [3H]-aldosterone from rat mineralocorticoid receptor after 18 hr... | 22866979 |
| Mineralocorticoid receptor | IC50 | = | 21.0 | nM | 7.68 | Displacement of [3H]-Aldosterone from MR in rat kidney cytosolic fraction measur... | 28051871 |
| Mineralocorticoid receptor | IC50 | = | 130.0 | nM | 6.89 | Antagonist activity at mineralocorticoid receptor expressed in african green mon... | 22866979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22866979 | 10.1021/jm300806c | Mineralocorticoid receptor | 2 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine