Compound Detail
CHEMBL203885
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Basic Information
| ChEMBL ID | CHEMBL203885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLXKJKBDBACQDP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
5.87
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.44 | 6.44 | 360.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 6.34 | 6.34 | 460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 360.0 | nM | 6.44 | Binding affinity to human GR | 16386422 |
| Glucocorticoid receptor | IC50 | = | 360.0 | nM | 6.44 | Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence... | 17681466 |
| Progesterone receptor | IC50 | = | 460.0 | nM | 6.34 | Binding affinity to human PR | 16386422 |
| Progesterone receptor | IC50 | = | 460.0 | nM | 6.34 | Displacement of RU486 from human progesterone receptor by fluorescence polarizat... | 17681466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16386422 | 10.1016/j.bmcl.2005.12.043 | Glucocorticoid receptor | 1 |
| 16386422 | 10.1016/j.bmcl.2005.12.043 | Progesterone receptor | 1 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Glucocorticoid receptor | 1 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine