Compound Detail
CHEMBL4085281
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COc1cc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)c(COC(C)=O)c2)ccc1S(N)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL4085281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMMUFHZJXQMMJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
4.34
ALogP
6
HBA
2
HBD
124.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL3507 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 31.0 | nM | 7.51 | Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured ... | 28051871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine