Compound Detail
CHEMBL1200623
ETHYLESTRENOL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1200623 |
| Name | ETHYLESTRENOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AOXRBFRFYPMWLR-XGXHKTLJSA-N |
| Therapeutic | ✓ Yes |
9
Targets
15
Activities
2
Assay Types
0
PK Parameters
10
Publications
9
Known Names
1
Mechanisms
Molecular Properties
288.5
MW (Da)
5.09
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1964 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Androgen Receptor agonist | AGONIST | Androgen receptor | ✓ | ✓ |
ATC Classification
A14AB02
ethylestrenol
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANABOLIC AGENTS FOR SYSTEMIC USE
Activity Summary
IC50 9 meas. best 7.57
Ki 6 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Progesterone receptor CHEMBL1909044 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Progesterone receptor CHEMBL1909044 | IC50 | 6.7 | 6.7 | 201.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.54 | 6.54 | 292.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.95 | 5.95 | 1121.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.89 | 5.89 | 1290.7 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.68 | 5.68 | 2098.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.68 | 5.68 | 2080.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6245.1 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.19 | 5.19 | 6504.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 174 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine