Compound Detail
CHEMBL3093442
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Basic Information
| ChEMBL ID | CHEMBL3093442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYFAXIKXGILQET-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.7
MW (Da)
5.58
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 35.0 | nM | 7.46 | Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknow... | 24215891 |
| Mineralocorticoid receptor | IC50 | = | 80.0 | nM | 7.1 | Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence ... | 24215891 |
| Progesterone receptor | IC50 | = | 3500.0 | nM | 5.46 | Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown o... | 24215891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Glucocorticoid receptor | 3 |
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Progesterone receptor | 1 |
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine