Compound Detail
CHEMBL514455
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Basic Information
| ChEMBL ID | CHEMBL514455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNJJVXQAJXMKMQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
5.39
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.65
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.04
Ki 1 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.65 | 7.65 | 22.6 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.04 | 6.04 | 922.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 22.6 | nM | 7.65 | Displacement of FITC-dexamethasone from human recombinant glucocorticoid recepto... | 19321341 |
| Glucocorticoid receptor | EC50 | = | 922.6 | nM | 6.04 | Transrepression activity at GR in PMA-stimulated human A549 cells assessed as in... | 19321341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Glucocorticoid receptor | 3 |
Data from ChEMBL 36 via Core Engine