Compound Detail
CHEMBL1928872
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Basic Information
| ChEMBL ID | CHEMBL1928872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAZOXNQSXSODTC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.71
ALogP
7
HBA
1
HBD
81.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.29 | 6.29 | 510.0 | 3 |
| Androgen receptor CHEMBL1871 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 510.0 | nM | 6.29 | Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cell... | 22074142 |
| Mineralocorticoid receptor | IC50 | = | 510.0 | nM | 6.29 | Antagonist activity at mineralocorticoid receptor | 22866979 |
| Mineralocorticoid receptor | IC50 | = | 510.0 | nM | 6.29 | Displacement of [3H]-Aldosterone from human MR overexpressed in FreeStyle 293 ce... | 28051871 |
| Androgen receptor | IC50 | = | 3600.0 | nM | 5.44 | Displacement of [3H]testosterone from AR | 22074142 |
| Glucocorticoid receptor | IC50 | = | 5600.0 | nM | 5.25 | Displacement of [3H]dexomethasone from GR | 22074142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22074142 | 10.1021/jm2011645 | Mineralocorticoid receptor | 1 |
| 22074142 | 10.1021/jm2011645 | Glucocorticoid receptor | 1 |
| 22074142 | 10.1021/jm2011645 | Androgen receptor | 1 |
| 22074142 | 10.1021/jm2011645 | Progesterone receptor | 1 |
| 22866979 | 10.1021/jm300806c | Progesterone receptor | 1 |
| 22866979 | 10.1021/jm300806c | Mineralocorticoid receptor | 1 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine