Compound Detail
CHEMBL219084
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Basic Information
| ChEMBL ID | CHEMBL219084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHRJBJXTYVYEES-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
4.06
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| HFF CHEMBL614071 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 34.0 | nM | 7.47 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass... | 17181172 |
| HFF | IC50 | = | 39.0 | nM | 7.41 | Inhibition of IL1-stimulated IL6 production in HFF cells | 17181172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181172 | 10.1021/jm061273t | HFF | 4 |
| 17181172 | 10.1021/jm061273t | Glucocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | Mus musculus | 1 |
| 17181172 | 10.1021/jm061273t | HeLa | 1 |
Data from ChEMBL 36 via Core Engine