Compound Detail
CHEMBL404640
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Basic Information
| ChEMBL ID | CHEMBL404640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZGNOGXYEWYRJB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
6.50
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.96
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 67.0 | nM | 7.17 | Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamet... | 18513967 |
| Glucocorticoid receptor | Ki | = | 110.0 | nM | 6.96 | Displacement of radiolabeled Dexamethasone from glucocorticoid receptor | 18513967 |
| Progesterone receptor | Ki | = | 6600.0 | nM | 5.18 | 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