Compound Detail
CHEMBL2407668
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COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL2407668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOOMYPHRFLZIRW-WHLCRQNOSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
4.04
ALogP
6
HBA
1
HBD
94.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 46.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 60.0 | nM | Rattus norvegicus |
| F | 7.0 | % | Rattus norvegicus |
| T1/2 | 1.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 54.0 | nM | 7.27 | 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 | Rattus norvegicus | 7 |
| 23777778 | 10.1016/j.bmcl.2013.05.077 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine