Compound Detail
CHEMBL4777887
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Basic Information
| ChEMBL ID | CHEMBL4777887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBGSKVKKKYCPEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
4.20
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 2700.0 | nM | 5.57 | Antagonist activity at human full-length MCR assessed as inhibition of receptor ... | 27161805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161805 | 10.1016/j.bmcl.2016.04.052 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine