Compound Detail
CHEMBL209090
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Basic Information
| ChEMBL ID | CHEMBL209090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCWLKWWPUARHCK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
4.60
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.15
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 71.0 | nM | 7.15 | Agonist activity at estrogen receptor in MCF7 cells | 16722623 |
| Estrogen receptor | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of estrogen receptor in Ishikawa cells | 16722623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722623 | 10.1021/jm060353u | Estrogen receptor | 4 |
| 16722623 | 10.1021/jm060353u | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine