Compound Detail
CHEMBL2407650
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COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCN(C(=O)C(F)(F)F)CC3)C2=O)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL2407650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDSGLEGVADVLMD-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.5
MW (Da)
2.83
ALogP
7
HBA
1
HBD
114.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 2900.0 | nM | 5.54 | Antagonist activity at human mineralocorticoid receptor assessed as inhibition o... | 23777778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23777778 | 10.1016/j.bmcl.2013.05.077 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine