Compound Detail
CHEMBL49754
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Basic Information
| ChEMBL ID | CHEMBL49754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFNLFWZVHZGCOI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
4.99
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Ki 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.38 | 6.125 | 420.0 | 2 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.08 | 5.08 | 8215.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 119.0 | nM | 6.92 | Binding affinity determined for human Progesterone receptor A isoform | 8627601 |
| Progesterone receptor | IC50 | = | 420.0 | nM | 6.38 | Antagonistic potency to the human progesterone receptor measured in the T-47D al... | 8627601 |
| Progesterone receptor | IC50 | = | 1350.0 | nM | 5.87 | Concentration required to give half-maximal inhibition against human Progesteron... | 8627601 |
| Glucocorticoid receptor | Ki | = | 8215.0 | nM | 5.08 | Binding affinity was determined for human glucocorticoid receptor(hGR). | 8627601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627601 | 10.1021/jm950747d | Progesterone receptor | 6 |
| 8627601 | 10.1021/jm950747d | Glucocorticoid receptor | 1 |
| 8627601 | 10.1021/jm950747d | Androgen receptor | 1 |
| 8627601 | 10.1021/jm950747d | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine