Compound Detail
CHEMBL8140
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Basic Information
| ChEMBL ID | CHEMBL8140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOSHWESRGNRMBT-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
5.68
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.85
Ki 2 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 9.02 | 9.02 | 0.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.85 | 7.345 | 14.0 | 2 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 7.11 | 7.11 | 78.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 0.95 | nM | 9.02 | Binding affinity towards human glucocorticoid receptor (GR) was determined using... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 14.0 | nM | 7.85 | Transcriptional repression in HepG2 cells expressing human glucocorticoid recept... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 78.0 | nM | 7.11 | Inhibition of concanavalin A stimulated rat splenocyte proliferation | 12620078 |
| Glucocorticoid receptor | EC50 | = | 145.0 | nM | 6.84 | Inhibition of concanavalin A stimulated T-cell proliferation in human PBMCs | 12620078 |
| Progesterone receptor | Ki | = | 150.0 | nM | 6.82 | Displacement of [3H]progesterone from human Progesterone receptor A | 12620078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620078 | 10.1021/jm020335m | Glucocorticoid receptor | 7 |
| 12620078 | 10.1021/jm020335m | Progesterone receptor | 1 |
| 12620078 | 10.1021/jm020335m | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine