Compound Detail
CHEMBL1095097
EPLERENONE 💊 Approved Drug
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💊 Approved Drug
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13
Basic Information
| ChEMBL ID | CHEMBL1095097 |
| Name | EPLERENONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JUKPWJGBANNWMW-VWBFHTRKSA-N |
| Therapeutic | ✓ Yes |
6
Targets
27
Activities
3
Assay Types
6
PK Parameters
20
Publications
5
Known Names
16
Indications
1
Mechanisms
Molecular Properties
414.5
MW (Da)
3.12
ALogP
6
HBA
0
HBD
82.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2002 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Mineralocorticoid receptor antagonist | ANTAGONIST | Mineralocorticoid receptor | ✓ | ✓ |
Indications
Cardiovascular Diseases Heart Failure Heart Failure Hypertension Myocardial Infarction Stroke Cardiomyopathies Essential Hypertension Muscular Dystrophy, Duchenne Renal Insufficiency, Chronic Atrial Fibrillation Breast Neoplasms Central Serous Chorioretinopathy Diabetic Nephropathies Hyperparathyroidism, Primary Diabetes Mellitus, Type 2
ATC Classification
C03DA04
eplerenone
Level 1: CARDIOVASCULAR SYSTEM
Level 2: DIURETICS
Activity Summary
IC50 22 meas. best 7.4
Ki 4 meas. best 7.35
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL3507 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
| Mineralocorticoid receptor CHEMBL3507 | Ki | 7.35 | 7.35 | 44.4 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.2 | 6.4675 | 63.1 | 16 |
| Mineralocorticoid receptor CHEMBL1994 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 5.57 | 101.0 | 2 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 4.75 | 4.51 | 18000.0 | 2 |
| Progesterone receptor CHEMBL208 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.9 | mL.min-1.g-1 | Homo sapiens |
| CL | 9.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 17.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 16.0 | % | Rattus norvegicus |
| Fu | 0.76 | - | Rattus norvegicus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine