Compound Detail
CHEMBL292284
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CC(=O)C[C@]1(C(C)=O)CC[C@H]2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL292284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKQWMOXIBZCMDJ-PWZOGDDVSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
5.32
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.21
EC50 1 meas. best 9.82
Ki 1 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 9.47 | 9.47 | 0.3 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 0.15 | nM | 9.82 | Effective concentration for agonist activity towards human progesterone receptor... | 12781197 |
| Progesterone receptor | Ki | = | 0.34 | nM | 9.47 | Binding affinity to human progesterone receptor | 12781197 |
| Androgen receptor | IC50 | = | 6.1 | nM | 8.21 | Antagonist activity against Androgen receptor | 12781197 |
| Glucocorticoid receptor | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at glucocorticoid (hGR) receptor | 12781197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Progesterone receptor | 5 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Androgen receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Glucocorticoid receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Estrogen receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Mineralocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine