Compound Detail
CHEMBL389683
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Basic Information
| ChEMBL ID | CHEMBL389683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLWLHDOBICBSTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.5
MW (Da)
7.69
ALogP
5
HBA
1
HBD
41.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.18 | 7.18 | 66.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 27.0 | nM | 7.57 | Displacement of [3H]estradiol from human recombinant ERalpha | 17489582 |
| Estrogen receptor beta | IC50 | = | 66.7 | nM | 7.18 | Displacement of [3H]estradiol from human recombinant ERbeta | 17489582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17489582 | 10.1021/jm070079j | Estrogen receptor | 2 |
| 17489582 | 10.1021/jm070079j | Estrogen receptor beta | 2 |
| 17489582 | 10.1021/jm070079j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine