Compound Detail
CHEMBL3337730
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Basic Information
| ChEMBL ID | CHEMBL3337730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWPRVWWCLUAMTI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.41
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.09 | 6.92 | 81.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 5.8 | 5.52 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 81.0 | nM | 7.09 | Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed ... | 25187277 |
| Mineralocorticoid receptor | IC50 | = | 180.0 | nM | 6.75 | Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells ... | 25187277 |
| Progesterone receptor | IC50 | = | 1600.0 | nM | 5.8 | Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin)... | 25187277 |
| Progesterone receptor | IC50 | = | 5700.0 | nM | 5.24 | Displacement of [[3H]-Progesterone from progesterone receptor (unknown origin) e... | 25187277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25187277 | 10.1016/j.bmc.2014.07.038 | Mineralocorticoid receptor | 3 |
| 25187277 | 10.1016/j.bmc.2014.07.038 | Progesterone receptor | 2 |
| 25187277 | 10.1016/j.bmc.2014.07.038 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine