Compound Detail
CHEMBL62798
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Basic Information
| ChEMBL ID | CHEMBL62798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHBDFVLBWAXHSJ-UHFFFAOYSA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
5.82
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.69
EC50 1 meas. best 6.75
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 6.75 | 6.75 | 178.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.69 | 6.69 | 204.2 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 6.43 | 6.43 | 374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 178.0 | nM | 6.75 | Antagonistic activity at human progesterone receptor in CV-1 cells. | 12781198 |
| Progesterone receptor | Ki | = | 205.0 | nM | 6.69 | Binding affinity at human progesterone receptor. | 12781198 |
| Progesterone receptor | Ki | = | 204.17 | nM | 6.69 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 374.0 | nM | 6.43 | Inhibition of human progesterone receptor activation in T47D human breast cancer... | 12781198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Progesterone receptor | 7 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine