Compound Detail
CHEMBL138003
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Basic Information
| ChEMBL ID | CHEMBL138003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFDCXOHZVYCSJT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.97
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.9
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.9 | 6.7 | 126.0 | 2 |
| Progesterone receptor CHEMBL208 | Ki | 6.01 | 6.01 | 966.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 25.0 | nM | 7.6 | Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]dexameth... | 11728194 |
| Glucocorticoid receptor | EC50 | = | 126.0 | nM | 6.9 | Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc). | 11728194 |
| Glucocorticoid receptor | EC50 | = | 320.0 | nM | 6.5 | The effective concentration in CV-1 cells for glucocorticoid response element ac... | 11728194 |
| Progesterone receptor | Ki | = | 966.0 | nM | 6.01 | Binding affinity towards progesterone receptor (PR) by displacing [3H]progestero... | 11728194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728194 | 10.1021/jm010367u | Glucocorticoid receptor | 5 |
| 11728194 | 10.1021/jm010367u | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine