Compound Detail
CHEMBL267940
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL267940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPUIRDMVUBPAPK-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
6.61
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.36
EC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.92 | 7.845 | 12.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.62 | 6.62 | 239.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.36 | 6.36 | 435.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 4.4 | nM | 8.36 | Binding affinity towards human glucocorticoid receptor (GR) was determined using... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 12.0 | nM | 7.92 | Transcriptional repression in HepG2 cells expressing human glucocorticoid recept... | 12620078 |
| Glucocorticoid receptor | EC50 | = | 17.0 | nM | 7.77 | Transcriptional activation in CV-1 cells expressing human glucocorticoid recepto... | 12620078 |
| Unchecked | Ki | = | 57.0 | nM | 7.24 | Binding affinity towards aldosterone receptor (Mineralocorticoid receptor) | 12620078 |
| Glucocorticoid receptor | EC50 | = | 90.0 | nM | 7.05 | Inhibition of concanavalin A stimulated rat splenocyte proliferation | 12620078 |
| Androgen receptor | Ki | = | 239.0 | nM | 6.62 | Binding affinity towards testosterone receptor | 12620078 |
| Progesterone receptor | Ki | = | 435.0 | nM | 6.36 | Displacement of [3H]progesterone from human Progesterone receptor A | 12620078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620078 | 10.1021/jm020335m | Glucocorticoid receptor | 9 |
| 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