Compound Detail
CHEMBL218976
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Basic Information
| ChEMBL ID | CHEMBL218976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJFMATJFYVPYBR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.25
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 950.0 | nM | 6.02 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass... | 17181172 |
| Mineralocorticoid receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to MR by FP ass... | 17181172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181172 | 10.1021/jm061273t | Progesterone receptor | 1 |
| 17181172 | 10.1021/jm061273t | Mineralocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | Glucocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | HFF | 1 |
Data from ChEMBL 36 via Core Engine