Compound Detail
CHEMBL1644763
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Basic Information
| ChEMBL ID | CHEMBL1644763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFGMXCGGNWTDQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
5.57
ALogP
2
HBA
2
HBD
44.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.36 | 6.36 | 436.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 436.0 | nM | 6.36 | Displacement of radiolabeled Dexamethasone from glucocorticoid receptor expresse... | 21115247 |
| Progesterone receptor | Ki | = | 3000.0 | nM | 5.52 | Binding affinity to progesterone receptor | 21115247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21115247 | 10.1016/j.bmcl.2010.11.047 | Glucocorticoid receptor | 7 |
| 21115247 | 10.1016/j.bmcl.2010.11.047 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine