Compound Detail
CHEMBL94053
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL94053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFTDPFXJASAPPG-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.7
MW (Da)
4.32
ALogP
3
HBA
1
HBD
33.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 6.9 | 6.9 | 127.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.58 | 6.46 | 265.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 127.0 | nM | 6.9 | Binding affinity towards progesterone receptor was measured | 11591515 |
| Progesterone receptor | IC50 | = | 265.0 | nM | 6.58 | Inhibitory concentration against progesterone induced PRE-luciferase activity in... | 11591515 |
| Progesterone receptor | IC50 | = | 460.0 | nM | 6.34 | Inhibitory concentration against progesterone stimulated alkaline phosphatase ac... | 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