Compound Detail
CHEMBL8329
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Basic Information
| ChEMBL ID | CHEMBL8329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNTKIDCSTYPBAH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
6.54
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.43 | 5.43 | 3740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 12.0 | nM | 7.92 | Binding affinity towards human glucocorticoid receptor (GR) was determined using... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 140.0 | nM | 6.85 | Transcriptional repression in HepG2 cells expressing human glucocorticoid recept... | 12620078 |
| Progesterone receptor | Ki | = | 3740.0 | nM | 5.43 | 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