Compound Detail
CHEMBL499812
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Basic Information
| ChEMBL ID | CHEMBL499812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKPUBHQTELTBJD-UHDSXZAQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.33
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 19.0 | nM | 7.72 | Agonist activity at ERbeta by fluorescence polarization assay | 12828470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12828470 | 10.1021/np020556v | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine