Compound Detail
CHEMBL74022
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Basic Information
| ChEMBL ID | CHEMBL74022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQDBCOBHKZQZJK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
2.32
ALogP
5
HBA
3
HBD
82.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.57
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 270.0 | nM | 6.57 | Ability to activate estrogen receptor 2-mediated transcription. | 15081034 |
| Estrogen receptor | EC50 | = | 1800.0 | nM | 5.75 | Ability to activate estrogen receptor 1-mediated transcription. | 15081034 |
| Estrogen receptor beta | IC50 | = | 2800.0 | nM | 5.55 | Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displac... | 15081034 |
| Estrogen receptor | IC50 | = | 33000.0 | nM | 4.48 | Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displa... | 15081034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081034 | 10.1016/j.bmcl.2004.01.099 | Estrogen receptor | 3 |
| 15081034 | 10.1016/j.bmcl.2004.01.099 | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine