Compound Detail
CHEMBL415309
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Basic Information
| ChEMBL ID | CHEMBL415309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOSVCJKDUIUUIB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
6.62
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
EC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.81 | 6.81 | 156.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 34.0 | nM | 7.47 | Binding affinity towards human glucocorticoid receptor (GR) was determined using... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 156.0 | nM | 6.81 | Transcriptional repression in HepG2 cells expressing human glucocorticoid recept... | 12620078 |
| Progesterone receptor | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]progesterone from human Progesterone receptor A | 12620078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620078 | 10.1021/jm020335m | Glucocorticoid receptor | 3 |
| 12620078 | 10.1021/jm020335m | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine