Compound Detail
CHEMBL94162
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Basic Information
| ChEMBL ID | CHEMBL94162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTJWERWUFWISDB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
5.11
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Ki 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 5.51 | 5.51 | 3061.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.5 | 5.5 | 3127.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 3061.0 | nM | 5.51 | Inhibitory concentration against progesterone induced PRE-luciferase activity in... | 11591515 |
| Progesterone receptor | Ki | = | 3127.0 | nM | 5.5 | Binding affinity towards progesterone receptor was measured | 11591515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591515 | 10.1016/s0960-894x(01)00554-6 | Progesterone receptor | 3 |
Data from ChEMBL 36 via Core Engine