Compound Detail
CHEMBL117187
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Basic Information
| ChEMBL ID | CHEMBL117187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZZPSUKZMZKXTQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.45
ALogP
2
HBA
1
HBD
52.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.57 | 7.57 | 27.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 27.0 | nM | 7.57 | Progesterone receptor antagonist activity based on its ability to block progeste... | 12419390 |
| Progesterone receptor | IC50 | = | 27.0 | nM | 7.57 | Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... | 18318463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18318463 | 10.1021/jm701080t | Progesterone receptor | 2 |
| 12419390 | 10.1016/s0960-894x(02)00746-1 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine