Compound Detail
CHEMBL315445
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Basic Information
| ChEMBL ID | CHEMBL315445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGWRFPUBBONZGG-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.58
ALogP
5
HBA
1
HBD
76.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Ki 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.08 | 6.8833 | 83.8 | 3 |
| Progesterone receptor CHEMBL208 | Ki | 6.48 | 6.48 | 332.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 83.8 | nM | 7.08 | Inhibitory concentration against progesterone stimulated alkaline phosphatase ac... | 11591515 |
| Progesterone receptor | IC50 | = | 84.0 | nM | 7.08 | Inhibition of human progesterone receptor | 16078826 |
| Progesterone receptor | IC50 | = | 326.0 | nM | 6.49 | Inhibitory concentration against progesterone induced PRE-luciferase activity in... | 11591515 |
| Progesterone receptor | Ki | = | 332.0 | nM | 6.48 | 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 |
| 16078826 | 10.1021/jm050358b | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine