Compound Detail
CHEMBL583629
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Basic Information
| ChEMBL ID | CHEMBL583629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QELYUNHSBLBUDL-GFUWAVFVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.69
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.03
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 3.9 | nM | 8.41 | Displacement of GS-red from human glucocorticoid receptor by fluorescent polariz... | 20047280 |
| Glucocorticoid receptor | EC50 | = | 9.3 | nM | 8.03 | Transrepression activity at glucocorticoid receptor expressed in human A549 cell... | 20047280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20047280 | 10.1021/jm901551w | Glucocorticoid receptor | 3 |
| 20047280 | 10.1021/jm901551w | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine