Compound Detail
CHEMBL330638
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Basic Information
| ChEMBL ID | CHEMBL330638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFFNEJBHCHAMGY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
7.07
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.04 | 7.5625 | 9.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 9.2 | nM | 8.04 | Repression activity of GR ligand with interleukin-6 receptor in native cell assa... | 11520196 |
| Glucocorticoid receptor | IC50 | = | 18.0 | nM | 7.75 | Transcriptional repression activity in HEP G2 cells expressing glucocorticoid re... | 11520196 |
| Glucocorticoid receptor | IC50 | = | 24.0 | nM | 7.62 | Transcriptional activation in CV-1 cells expressing glucocorticoid receptor | 11520196 |
| Glucocorticoid receptor | IC50 | = | 146.0 | nM | 6.84 | Glucocorticoid-induced aromatase activity in human skin fibroblasts | 11520196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520196 | 10.1021/jm010228c | Glucocorticoid receptor | 8 |
Data from ChEMBL 36 via Core Engine