Compound Detail
CHEMBL4079083
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4079083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUSLDGVMWQDFIM-ZDUSSCGKSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
1.99
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 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.93 | 5.7833 | 1181.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.9 | 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 | IC50 | = | 1181.0 | nM | 5.93 | Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain ... | 29300474 |
| Mineralocorticoid receptor | IC50 | = | 1970.0 | nM | 5.71 | Antagonist activity at Gal4-fused MR LBD (unknown origin) expressed in human Huh... | 28051871 |
| Mineralocorticoid receptor | IC50 | = | 1969.0 | nM | 5.71 | 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 | Mineralocorticoid receptor | 2 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Mineralocorticoid receptor | 1 |
| 29300474 | 10.1021/acs.jmedchem.7b01515 | No relevant target | 1 |
| 29300474 | 10.1021/acs.jmedchem.7b01515 | Liver | 1 |
Data from ChEMBL 36 via Core Engine