Compound Detail
CHEMBL118861
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Basic Information
| ChEMBL ID | CHEMBL118861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEJRGCKSKIRXCW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.42
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.44 | 7.23 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 36.0 | nM | 7.44 | Progesterone receptor antagonist activity based on its ability to block progeste... | 12419390 |
| Progesterone receptor | IC50 | = | 96.0 | nM | 7.02 | Inhibition of 3 nM [3H]R5020 binding to progesterone receptor of human T47D cell... | 12419390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419390 | 10.1016/s0960-894x(02)00746-1 | Progesterone receptor | 2 |
Data from ChEMBL 36 via Core Engine