Compound Detail
CHEMBL337885
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 | CHEMBL337885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWWISRCNTSLLKK-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
4.84
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.99
Ki 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.43 | 7.43 | 37.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 6.99 | 6.8 | 102.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 37.0 | nM | 7.43 | Binding affinity against human progesterone receptor (hPR) in a competitive bind... | 10743938 |
| Progesterone receptor | Ki | = | 37.15 | nM | 7.43 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 102.0 | nM | 6.99 | Antagonist activity against human progesterone receptor (hPR) in T47D human brea... | 10743938 |
| Progesterone receptor | IC50 | = | 245.0 | nM | 6.61 | Antagonist activity against human progesterone receptor (hPR) using cotransfecti... | 10743938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Progesterone receptor | 9 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine