Compound Detail
CHEMBL429987
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Basic Information
| ChEMBL ID | CHEMBL429987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAKWAQHHESGFAA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.91
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.46 | 6.46 | 345.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 30.0 | nM | 7.52 | Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in ... | 17692519 |
| Progesterone receptor | IC50 | = | 345.0 | nM | 6.46 | Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in in... | 17692519 |
| Mineralocorticoid receptor | IC50 | = | 510.0 | nM | 6.29 | Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor i... | 17692519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17692519 | 10.1016/j.bmcl.2007.07.031 | HFF | 4 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Glucocorticoid receptor | 1 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Progesterone receptor | 1 |
| 17692519 | 10.1016/j.bmcl.2007.07.031 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine