Compound Detail
CHEMBL379889
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Basic Information
| ChEMBL ID | CHEMBL379889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHMWCNIIKUZAOU-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.47
ALogP
5
HBA
2
HBD
58.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
EC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.1 | 7.1 | 79.0 | 2 |
| Estrogen receptor beta CHEMBL242 | EC50 | 6.65 | 6.215 | 222.0 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 5.76 | 5.76 | 1753.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 79.0 | nM | 7.1 | Displacement of [3H]estrone from ER beta | 16610787 |
| Estrogen receptor beta | IC50 | = | 79.0 | nM | 7.1 | Inhibition of estrogen receptor beta | 18357974 |
| Estrogen receptor beta | EC50 | = | 222.0 | nM | 6.65 | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase as... | 16610787 |
| Estrogen receptor beta | EC50 | = | 1669.0 | nM | 5.78 | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase as... | 16610787 |
| Estrogen receptor | IC50 | = | 1753.0 | nM | 5.76 | Displacement of [3H]estrone from ER alpha | 16610787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610787 | 10.1021/jm0509389 | Estrogen receptor beta | 3 |
| 16610787 | 10.1021/jm0509389 | Estrogen receptor | 3 |
| 18357974 | 10.1021/jm701314u | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine