Compound Detail
CHEMBL59311
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Basic Information
| ChEMBL ID | CHEMBL59311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSPKFOXJJPPMJT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.30
ALogP
5
HBA
2
HBD
73.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 37.0 | nM | 7.43 | Binding affinity for estrogen receptor alpha | 12749895 |
| Estrogen receptor | IC50 | = | 590.0 | nM | 6.23 | Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferatio... | 12749895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749895 | 10.1016/s0960-894x(03)00306-8 | Estrogen receptor | 2 |
| 12749895 | 10.1016/s0960-894x(03)00306-8 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine