Compound Detail
CHEMBL4459932
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Basic Information
| ChEMBL ID | CHEMBL4459932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXMYQNASVPFTNM-ZDUSSCGKSA-N |
3
Targets
4
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
1.95
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.7
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 4.6 | 4.6 | 25118.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | 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 | = | 199.53 | nM | 6.7 | Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radi... | 30596500 |
| Mineralocorticoid receptor | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed... | 30596500 |
| Glucocorticoid receptor | Ki | = | 1258.93 | nM | 5.9 | Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence po... | 30596500 |
| Progesterone receptor | Ki | = | 25118.86 | nM | 4.6 | Binding affinity to recombinant human progesterone receptor LBD by fluormone PL ... | 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