Compound Detail
CHEMBL4062371
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Basic Information
| ChEMBL ID | CHEMBL4062371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDBQYPUELRHJBZ-JSGCOSHPSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.38
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.14 | 6.03 | 727.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 77.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 24.3 | mL.min-1.g-1 | Homo sapiens |
| CL | 564.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 727.0 | nM | 6.14 | Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain ... | 29300474 |
| Mineralocorticoid receptor | IC50 | = | 1217.0 | nM | 5.92 | Antagonist activity at human GAL4-DBD fused MR ligand binding domain transfected... | 29300474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29300474 | 10.1021/acs.jmedchem.7b01515 | Liver | 2 |
| 29300474 | 10.1021/acs.jmedchem.7b01515 | Mineralocorticoid receptor | 2 |
| 29300474 | 10.1021/acs.jmedchem.7b01515 | Rattus norvegicus | 1 |
| 29300474 | 10.1021/acs.jmedchem.7b01515 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine