Compound Detail
CHEMBL337112
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Basic Information
| ChEMBL ID | CHEMBL337112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIGSXDRQEJZDLK-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
6.59
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.75
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.75 | 7.585 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 2.1 | nM | 8.68 | Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]dexameth... | 11728194 |
| Glucocorticoid receptor | EC50 | = | 18.0 | nM | 7.75 | Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc). | 11728194 |
| Glucocorticoid receptor | EC50 | = | 38.0 | nM | 7.42 | The effective concentration in CV-1 cells for glucocorticoid response element ac... | 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