Compound Detail
CHEMBL370039
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Basic Information
| ChEMBL ID | CHEMBL370039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSEPKUCEKATJSD-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.27
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 4.37 | 4.37 | 43000.0 | 4 |
| Estrogen receptor CHEMBL206 | IC50 | 4.07 | 4.07 | 85700.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 43000.0 | nM | 4.37 | Binding affinity for human Estrogen receptor beta | 15887952 |
| Estrogen receptor beta | IC50 | = | 43000.0 | nM | 4.37 | Binding affinity for human Estrogen receptor beta | 15887952 |
| Estrogen receptor beta | IC50 | = | 43000.0 | nM | 4.37 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor beta | IC50 | = | 43000.0 | nM | 4.37 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor | IC50 | = | 85700.0 | nM | 4.07 | Binding affinity for human Estrogen receptor Alpha | 15887952 |
| Estrogen receptor | IC50 | = | 85700.0 | nM | 4.07 | Binding affinity for human Estrogen receptor Alpha | 15887952 |
| Estrogen receptor | IC50 | = | 85700.0 | nM | 4.07 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor | IC50 | = | 85700.0 | nM | 4.07 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887952 | 10.1021/jm0490538 | Estrogen receptor | 4 |
| 15887952 | 10.1021/jm0490538 | Estrogen receptor beta | 2 |
| 30785281 | 10.1021/acs.jmedchem.8b01328 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine