Compound Detail
CHEMBL1644765
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Basic Information
| ChEMBL ID | CHEMBL1644765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFJZCMOHVUUOJJ-YUNKPMOVSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.9
MW (Da)
5.47
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
EC50 1 meas. best 6.43
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of radiolabeled Dexamethasone from glucocorticoid receptor expresse... | 21115247 |
| Glucocorticoid receptor | IC50 | = | 24.0 | nM | 7.62 | Transrepression activity at glucocorticoid receptor in TNFalpha/IL1beta-stimulat... | 21115247 |
| Glucocorticoid receptor | EC50 | = | 370.0 | nM | 6.43 | Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected ... | 21115247 |
| Androgen receptor | Ki | = | 400.0 | nM | 6.4 | Binding affinity to androgen receptor | 21115247 |
| Progesterone receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity to progesterone receptor | 21115247 |
| Mineralocorticoid receptor | Ki | = | 1200.0 | nM | 5.92 | Binding affinity to mineralocorticoid receptor | 21115247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21115247 | 10.1016/j.bmcl.2010.11.047 | Glucocorticoid receptor | 7 |
| 21115247 | 10.1016/j.bmcl.2010.11.047 | Progesterone receptor | 1 |
| 21115247 | 10.1016/j.bmcl.2010.11.047 | Mineralocorticoid receptor | 1 |
| 21115247 | 10.1016/j.bmcl.2010.11.047 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine