Compound Detail
CHEMBL391439
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Basic Information
| ChEMBL ID | CHEMBL391439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIAURGNSNSBTNK-FQEVSTJZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.39
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.5 | 6.5 | 313.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.41 | 6.41 | 387.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 7.5 | nM | 8.12 | Binding affinity to human mineralocorticoid receptor | 18038968 |
| Progesterone receptor | Ki | = | 313.0 | nM | 6.5 | Binding affinity to human progesterone receptor | 18038968 |
| Glucocorticoid receptor | Ki | = | 387.0 | nM | 6.41 | Binding affinity to human glucocorticoid receptor | 18038968 |
| Androgen receptor | Ki | = | 590.0 | nM | 6.23 | Binding affinity to human androgen receptor | 18038968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18038968 | 10.1021/jm701186z | Mineralocorticoid receptor | 2 |
| 18038968 | 10.1021/jm701186z | Glucocorticoid receptor | 1 |
| 18038968 | 10.1021/jm701186z | Androgen receptor | 1 |
| 18038968 | 10.1021/jm701186z | Progesterone receptor | 1 |
| 18038968 | 10.1021/jm701186z | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine