Compound Detail
CHEMBL411
DIETHYLSTILBESTROL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL411 |
| Name | DIETHYLSTILBESTROL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Therapeutic | ✓ Yes |
52
Targets
117
Activities
3
Assay Types
1
PK Parameters
20
Publications
10
Known Names
2
Indications
1
Mechanisms
Molecular Properties
268.4
MW (Da)
4.83
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1973 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor alpha agonist | AGONIST | Estrogen receptor | ✓ | ✓ |
Indications
Neoplasms Prostatic Neoplasms, Castration-Resistant
ATC Classification
G03CB02
diethylstilbestrol
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03CC05
diethylstilbestrol
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
L02AA01
diethylstilbestrol
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY
Activity Summary
IC50 64 meas. best 9.48
Ki 42 meas. best 9.9
EC50 11 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 10.7 | 9.375 | 0.0 | 2 |
| Estrogen receptor CHEMBL206 | EC50 | 10.22 | 9.28 | 0.1 | 5 |
| Estrogen receptor CHEMBL2093866 | Ki | 9.9 | 9.895 | 0.1 | 2 |
| Estrogen receptor CHEMBL206 | Ki | 9.7 | 9.5625 | 0.2 | 4 |
| Estrogen receptor CHEMBL206 | IC50 | 9.48 | 8.46 | 0.3 | 5 |
| MCF7 CHEMBL387 | IC50 | 9.4 | 7.35 | 0.4 | 2 |
| Estrogen receptor beta CHEMBL242 | Ki | 9.2 | 9.2 | 0.6 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.4 | 7.305 | 4.0 | 2 |
| Aldehyde oxidase CHEMBL3257 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Progesterone receptor CHEMBL1909044 | Ki | 6.21 | 6.21 | 611.0 | 1 |
| Estrogen-related receptor gamma CHEMBL4245 | EC50 | 6.2 | 6.2 | 630.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.07 | 6.07 | 851.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.02 | 6.02 | 958.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.97 | 5.97 | 1071.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.9 | 5.9 | 1248.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.86 | 5.86 | 1369.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.78 | 5.78 | 1666.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.74 | 5.74 | 1825.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.7 | 5.7 | 1998.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.66 | 5.66 | 2201.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 5.66 | 5.66 | 2208.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.63 | 5.63 | 2345.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.57 | 5.57 | 2718.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | IC50 | 5.54 | 5.54 | 2856.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.53 | 5.53 | 2987.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 5.53 | 5.53 | 2963.0 | 1 |
| ANN-1 CHEMBL614520 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.5 | 5.5 | 3140.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 5.5 | 5.5 | 3184.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.44 | 5.44 | 3640.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.44 | 5.0533 | 3650.0 | 6 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.44 | 5.44 | 3654.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.43 | 5.43 | 3670.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.42 | 4.917 | 3761.0 | 10 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.41 | 5.41 | 3907.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.41 | 5.41 | 3882.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.36 | 5.36 | 4359.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.35 | 5.35 | 4440.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.34 | 5.34 | 4563.0 | 1 |
| Progesterone receptor CHEMBL1909044 | IC50 | 5.33 | 5.33 | 4682.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.32 | 5.32 | 4818.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.3 | 5.3 | 5060.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.28 | 5.28 | 5297.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.27 | 5.27 | 5321.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.27 | 5.27 | 5340.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 4e-10 | M | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine