Compound Detail
CHEMBL8394
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Basic Information
| ChEMBL ID | CHEMBL8394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTULGNRZXMHXPU-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
6.69
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.28
EC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.75 | 7.33 | 18.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.03 | 7.03 | 93.8 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.61 | 5.61 | 2460.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.32 | 5.32 | 4740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 5.2 | nM | 8.28 | Binding affinity towards human glucocorticoid receptor (GR) was determined using... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 18.0 | nM | 7.75 | Transcriptional repression in HepG2 cells expressing human glucocorticoid recept... | 12620078 |
| Unchecked | Ki | = | 93.8 | nM | 7.03 | Binding affinity towards aldosterone receptor (Mineralocorticoid receptor) | 12620078 |
| Glucocorticoid receptor | EC50 | = | 123.0 | nM | 6.91 | Transcriptional activation in CV-1 cells expressing human glucocorticoid recepto... | 12620078 |
| Androgen receptor | Ki | = | 2460.0 | nM | 5.61 | Binding affinity towards testosterone receptor | 12620078 |
| Progesterone receptor | Ki | = | 4740.0 | nM | 5.32 | Displacement of [3H]progesterone from human Progesterone receptor A | 12620078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620078 | 10.1021/jm020335m | Glucocorticoid receptor | 5 |
| 12620078 | 10.1021/jm020335m | Unchecked | 2 |
| 12620078 | 10.1021/jm020335m | Progesterone receptor | 1 |
| 12620078 | 10.1021/jm020335m | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine