Compound Detail
CHEMBL67837
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Basic Information
| ChEMBL ID | CHEMBL67837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUYNJNWVGIWJRI-GDLZYMKVSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
6.03
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Ki 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | Ki | 8.72 | 8.7 | 1.9 | 2 |
| Estrogen receptor CHEMBL2093866 | IC50 | 8.08 | 7.95 | 8.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 1.89 | nM | 8.72 | Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3... | 9216828 |
| Estrogen receptor | Ki | = | 2.09 | nM | 8.68 | Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cyto... | 9216828 |
| Estrogen receptor | IC50 | = | 8.4 | nM | 8.08 | Inhibition of estradiol-stimulated T-47D cell proliferation. | 9216828 |
| Estrogen receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of estradiol-stimulated ZR-75-1-cell proliferation | 9216828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216828 | 10.1021/jm970095o | Estrogen receptor | 6 |
Data from ChEMBL 36 via Core Engine