Compound Detail
CHEMBL4081584
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Basic Information
| ChEMBL ID | CHEMBL4081584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFDYQGVYJNXWSB-KBPBESRZSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
1.35
ALogP
6
HBA
2
HBD
83.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 52.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.8 | mL.min-1.g-1 | Homo sapiens |
| CL | 44.0 | 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 | = | 10000.0 | nM | 5.0 | 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