Compound Detail
CHEMBL4462225
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Basic Information
| ChEMBL ID | CHEMBL4462225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQCJJRGKGCAZGP-ZDUSSCGKSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.34
ALogP
5
HBA
1
HBD
91.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 34.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 501.19 | nM | 6.3 | Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radi... | 30596500 |
| Mineralocorticoid receptor | IC50 | = | 3981.07 | nM | 5.4 | Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed... | 30596500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30596500 | 10.1021/acs.jmedchem.8b01523 | Mineralocorticoid receptor | 3 |
| 30596500 | 10.1021/acs.jmedchem.8b01523 | No relevant target | 2 |
| 30596500 | 10.1021/acs.jmedchem.8b01523 | Glucocorticoid receptor | 1 |
| 30596500 | 10.1021/acs.jmedchem.8b01523 | Progesterone receptor | 1 |
| 30596500 | 10.1021/acs.jmedchem.8b01523 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine