Compound Detail
CHEMBL407847
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Basic Information
| ChEMBL ID | CHEMBL407847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWIVIIVAVHAPAO-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.47
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.49 | 8.16 | 3.2 | 2 |
| Progesterone receptor CHEMBL208 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 3.2 | nM | 8.49 | Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... | 18318463 |
| Progesterone receptor | IC50 | = | 14.7 | nM | 7.83 | Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay | 18318463 |
| Progesterone receptor | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at human PR expressed in human T47D cells assessed as stimulati... | 18318463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18318463 | 10.1021/jm701080t | Progesterone receptor | 4 |
Data from ChEMBL 36 via Core Engine