Compound Detail
CHEMBL133794
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Basic Information
| ChEMBL ID | CHEMBL133794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDEPJXRAESNIQG-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
5.33
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.74
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 6.98 | 6.805 | 105.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 25.0 | nM | 7.6 | Binding affinity against human progesterone receptor (hPR) in a competitive bind... | 10743938 |
| Progesterone receptor | Ki | = | 25.12 | nM | 7.6 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 105.0 | nM | 6.98 | Antagonist activity against human progesterone receptor (hPR) in T47D human brea... | 10743938 |
| Progesterone receptor | IC50 | = | 232.0 | nM | 6.63 | Antagonist activity against human progesterone receptor (hPR) using cotransfecti... | 10743938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Progesterone receptor | 9 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine