Compound Detail
CHEMBL4764165
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CC[C@@](c1ccc(Cl)cc1)(c1noc(C2CC2)n1)n1ccc2c(NS(C)(=O)=O)cccc21
Basic Information
| ChEMBL ID | CHEMBL4764165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXLIRTQCLXDYEP-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
5.13
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 33.0 | nM | 7.48 | 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