Compound Detail
CHEMBL427899
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Basic Information
| ChEMBL ID | CHEMBL427899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYAPBFRUZQERGJ-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.9
MW (Da)
6.50
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.1
EC50 1 meas. best 6.72
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.1 | 7.1 | 79.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.72 | 6.72 | 191.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 79.0 | nM | 7.1 | Displacement of radiolabeled Dexamethasone from glucocorticoid receptor | 18513967 |
| Glucocorticoid receptor | IC50 | = | 84.0 | nM | 7.08 | Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 b... | 18513967 |
| Glucocorticoid receptor | EC50 | = | 191.0 | nM | 6.72 | Agonist activity at glucocorticoid receptor assessed as glucose response element... | 18513967 |
| Progesterone receptor | Ki | = | 650.0 | nM | 6.19 | Binding affinity at progesterone receptor | 18513967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18513967 | 10.1016/j.bmcl.2008.05.029 | Glucocorticoid receptor | 7 |
| 18513967 | 10.1016/j.bmcl.2008.05.029 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine