Compound Detail
CHEMBL4776613
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CC[C@](C(=O)NCC(F)(F)F)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
Basic Information
| ChEMBL ID | CHEMBL4776613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEWCSAAVALPVLA-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.9
MW (Da)
4.50
ALogP
4
HBA
2
HBD
80.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 97.0 | nM | 7.01 | 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 |
| 27161805 | 10.1016/j.bmcl.2016.04.052 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine