Compound Detail
CHEMBL67362
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Basic Information
| ChEMBL ID | CHEMBL67362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNWLUDPVYBPOSX-UHFFFAOYSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.85
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.15
Ki 3 meas. best 7.08
IC50 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 7.15 | 6.54 | 71.0 | 3 |
| Progesterone receptor CHEMBL208 | Ki | 7.08 | 7.08 | 83.2 | 3 |
| Progesterone receptor CHEMBL208 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 71.0 | nM | 7.15 | Antagonist activity against hPR (human progesterone receptor) compared to that o... | 9873735 |
| Progesterone receptor | Ki | = | 84.0 | nM | 7.08 | Binding affinity was determined against hPR-A (human progesterone receptor) usin... | 9873735 |
| Progesterone receptor | Ki | = | 84.0 | nM | 7.08 | Binding affinity at human progesterone receptor. | 12781198 |
| Progesterone receptor | Ki | = | 83.18 | nM | 7.08 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | EC50 | = | 111.0 | nM | 6.96 | Antagonistic activity at human progesterone receptor in CV-1 cells. | 12781198 |
| Progesterone receptor | IC50 | = | 138.0 | nM | 6.86 | Inhibition of human progesterone receptor activation in T47D human breast cancer... | 12781198 |
| Progesterone receptor | EC50 | = | 3081.0 | nM | 5.51 | Agonist activity was determined against hPR (human progesterone receptor) compar... | 9873735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Progesterone receptor | 7 |
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Progesterone receptor | 5 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine