Compound Detail
CHEMBL190109
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Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(=O)O)c2)cc1)Cc1ccc(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL190109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USLSTEHVCOVPEK-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
617.1
MW (Da)
6.76
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.59 | 7.445 | 2.6 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.9 | nM | 8.72 | Inhibition of [3H]dexamethasone binding to rat glucocorticoid receptor | 16078847 |
| Glucocorticoid receptor | IC50 | = | 2.6 | nM | 8.59 | Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor | 16078847 |
| Progesterone receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human progesterone receptor | 16078847 |
| Glucocorticoid receptor | IC50 | = | 500.0 | nM | 6.3 | Antagonistic activity against 5 nM Dexamethasone induced glucocorticoid receptor... | 16078847 |
| Mineralocorticoid receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human mineralocorticoid receptor | 16078847 |
| Androgen receptor | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human androgen receptor | 16078847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078847 | 10.1021/jm050205o | Glucocorticoid receptor | 5 |
| 16078847 | 10.1021/jm050205o | Tegument protein VP16 | 1 |
| 16078847 | 10.1021/jm050205o | Progesterone receptor | 1 |
| 16078847 | 10.1021/jm050205o | Androgen receptor | 1 |
| 16078847 | 10.1021/jm050205o | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine