Compound Detail
CHEMBL1215626
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C[C@]12CCc3cc(C(=O)O)ccc3C1=NN(c1ccc(C#N)c(Cl)c1)[C@H]2C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL1215626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPFCSJSDICUJFB-ZCYQVOJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
5.65
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 25.0 | nM | 7.6 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20672822 | 10.1021/jm100505n | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine