Compound Detail
CHEMBL50023
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Basic Information
| ChEMBL ID | CHEMBL50023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUBRWONSGNOQIS-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
4.69
ALogP
2
HBA
0
HBD
43.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.73
Ki 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.27 | 7.27 | 53.5 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.73 | 6.355 | 186.0 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.27 | 5.27 | 5424.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.2 | 5.2 | 6303.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 53.5 | nM | 7.27 | Binding affinity determined for human Progesterone receptor A isoform | 8627601 |
| Progesterone receptor | IC50 | = | 186.0 | nM | 6.73 | Antagonistic potency to the human progesterone receptor measured in the T-47D al... | 8627601 |
| Androgen receptor | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against human Androgen receptor | 8627601 |
| Progesterone receptor | IC50 | = | 1050.0 | nM | 5.98 | Concentration required to give half-maximal inhibition against human Progesteron... | 8627601 |
| Glucocorticoid receptor | Ki | = | 5424.0 | nM | 5.27 | Binding affinity was determined for human glucocorticoid receptor(hGR). | 8627601 |
| Androgen receptor | Ki | = | 6303.0 | nM | 5.2 | Binding affinity determined against human Androgen receptor | 8627601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627601 | 10.1021/jm950747d | Progesterone receptor | 6 |
| 8627601 | 10.1021/jm950747d | Androgen receptor | 3 |
| 8627601 | 10.1021/jm950747d | Estrogen receptor | 2 |
| 8627601 | 10.1021/jm950747d | Glucocorticoid receptor | 2 |
| 8627601 | 10.1021/jm950747d | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine