Compound Detail
CHEMBL237122
EPIERENONE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2C1C1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL237122 |
| Name | EPIERENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBIRIYASLUPKQB-CBHLJOAQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
2.98
ALogP
6
HBA
0
HBD
82.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.75 | 5.75 | 1758.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.05 | 5.05 | 8892.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 4.53 | 4.53 | 29424.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 124.0 | nM | 6.91 | Binding affinity to human mineralocorticoid receptor | 18038968 |
| Glucocorticoid receptor | Ki | = | 1758.0 | nM | 5.75 | Binding affinity to human glucocorticoid receptor | 18038968 |
| Androgen receptor | Ki | = | 8892.0 | nM | 5.05 | Binding affinity to human androgen receptor | 18038968 |
| Progesterone receptor | Ki | = | 29424.0 | nM | 4.53 | Binding affinity to human progesterone receptor | 18038968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18038968 | 10.1021/jm701186z | Mineralocorticoid receptor | 2 |
| 18038968 | 10.1021/jm701186z | Glucocorticoid receptor | 1 |
| 18038968 | 10.1021/jm701186z | Androgen receptor | 1 |
| 18038968 | 10.1021/jm701186z | Progesterone receptor | 1 |
| 18038968 | 10.1021/jm701186z | Estrogen receptor | 1 |
| 18038968 | 10.1021/jm701186z | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine