Compound Detail
CHEMBL7781
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Basic Information
| ChEMBL ID | CHEMBL7781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKYPRKNSJRILPH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.8
MW (Da)
7.09
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 2.3 | nM | 8.64 | Binding affinity towards human glucocorticoid receptor (GR) was determined using... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 5.0 | nM | 8.3 | Transcriptional repression in HepG2 cells expressing human glucocorticoid recept... | 12620078 |
| Progesterone receptor | Ki | = | 22.0 | nM | 7.66 | 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