Compound Detail
CHEMBL1201151
MESTRANOL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1201151 |
| Name | MESTRANOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | IMSSROKUHAOUJS-MJCUULBUSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL691 |
8
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
11
Known Names
1
Mechanisms
Molecular Properties
310.4
MW (Da)
3.92
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1961 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor alpha agonist | AGONIST | Estrogen receptor | ✓ | ✓ |
Activity Summary
IC50 9 meas. best 7.75
Ki 7 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.7 | 5.975 | 200.0 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.86 | 5.86 | 1382.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.86 | 5.86 | 1371.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.3 | 5.3 | 5021.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 5.15 | 5.15 | 7121.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.97 | 4.97 | 10682.0 | 1 |
| Progesterone receptor CHEMBL1909044 | Ki | 4.96 | 4.96 | 11010.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 4.65 | 4.65 | 22532.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 4.54 | 4.54 | 28540.0 | 1 |
| Progesterone receptor CHEMBL1909044 | IC50 | 4.07 | 4.07 | 84414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 405 |
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 536998 | 10.1021/jm00198a021 | Unchecked | 2 |
| 536998 | 10.1021/jm00198a021 | Rattus norvegicus | 2 |
| 22931300 | 10.1021/tx300075j | Cytochrome P450 3A4 | 2 |
| 22931300 | 10.1021/tx300075j | Liver microsomes | 2 |
| 3346872 | 10.1021/jm00398a014 | Rattus norvegicus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 22931300 | 10.1021/tx300075j | Cytochrome P450 2D6 | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
Data from ChEMBL 36 via Core Engine