Compound Detail
CHEMBL85561
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Basic Information
| ChEMBL ID | CHEMBL85561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKPUWBASAVMSDI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
7.41
ALogP
4
HBA
1
HBD
45.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]estradiol from Estrogen receptor beta | 11549460 |
| Estrogen receptor | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]estradiol from Estrogen receptor alpha | 11549460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549460 | 10.1016/s0960-894x(01)00488-7 | Estrogen receptor | 2 |
| 11549460 | 10.1016/s0960-894x(01)00488-7 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine