Compound Detail
CHEMBL219207
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Basic Information
| ChEMBL ID | CHEMBL219207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUMWHZCQHQAPAQ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
4.51
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
EC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| HFF CHEMBL614071 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| HeLa CHEMBL399 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| HFF CHEMBL614071 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass... | 17181172 |
| HFF | IC50 | = | 3.0 | nM | 8.52 | Inhibition of IL1-stimulated IL6 production in HFF cells | 17181172 |
| HeLa | EC50 | = | 15.0 | nM | 7.82 | Activation of MMTV in HeLa cells measured by luciferase activity | 17181172 |
| HFF | EC50 | = | 17.0 | nM | 7.77 | Induction of aromatase activity in HFF cells assessed as production of beta estr... | 17181172 |
| Progesterone receptor | IC50 | = | 340.0 | nM | 6.47 | Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay | 17181172 |
| Mineralocorticoid receptor | IC50 | = | 880.0 | nM | 6.06 | Inhibition of tetramethylrhodamine labeled dexamethasone binding to MR by FP ass... | 17181172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181172 | 10.1021/jm061273t | HFF | 4 |
| 17181172 | 10.1021/jm061273t | HeLa | 2 |
| 17181172 | 10.1021/jm061273t | Glucocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | Mineralocorticoid receptor | 1 |
| 17181172 | 10.1021/jm061273t | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine