Compound Detail
CHEMBL514646
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Basic Information
| ChEMBL ID | CHEMBL514646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYEYUIJWYCBKBG-WIXQSORDSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
4.77
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.89
EC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.94 | 6.94 | 114.9 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 1.3 | nM | 8.89 | Displacement of FITC-dexamethasone from human recombinant glucocorticoid recepto... | 19321341 |
| Glucocorticoid receptor | EC50 | = | 114.9 | nM | 6.94 | Transrepression activity at GR in PMA-stimulated human A549 cells assessed as in... | 19321341 |
| Progesterone receptor | Ki | = | 147.0 | nM | 6.83 | Displacement of radioligand from progesterone receptor by fluorescence polarizat... | 19321341 |
| Androgen receptor | Ki | = | 7400.0 | nM | 5.13 | Displacement of radioligand from androgen receptor by fluorescence polarization ... | 19321341 |
| Estrogen receptor | Ki | = | 15000.0 | nM | 4.82 | Displacement of radioligand from estrogen receptor alpha by fluorescence polariz... | 19321341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Glucocorticoid receptor | 3 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Mineralocorticoid receptor | 2 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Progesterone receptor | 1 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Estrogen receptor | 1 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Androgen receptor | 1 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine