Compound Detail
CHEMBL205577
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Basic Information
| ChEMBL ID | CHEMBL205577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWVMDDZTSAEFOA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.81
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 5.8 | 5.8 | 1583.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.94 | 4.94 | 11371.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.48 | 4.48 | 33248.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 1583.0 | nM | 5.8 | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase as... | 16610787 |
| Estrogen receptor beta | IC50 | = | 11371.0 | nM | 4.94 | Displacement of [3H]estrone from ER beta | 16610787 |
| Estrogen receptor | IC50 | = | 33248.0 | nM | 4.48 | Displacement of [3H]estrone from ER alpha | 16610787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610787 | 10.1021/jm0509389 | Estrogen receptor | 3 |
| 16610787 | 10.1021/jm0509389 | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine