Compound Detail
CHEMBL4096901
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Basic Information
| ChEMBL ID | CHEMBL4096901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWJJBRLFZBLSNJ-GOSISDBHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.02
ALogP
6
HBA
1
HBD
91.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 26.0 | nM | 7.58 | Antagonist activity at Gal4-fused human MR LBD (734 to 985 residues) expressed i... | 28051871 |
| Androgen receptor | IC50 | = | 2400.0 | nM | 5.62 | Antagonist activity at GAL4-fused human AR LBD (667 to 919 residues) expressed i... | 28051871 |
| Progesterone receptor | IC50 | = | 4200.0 | nM | 5.38 | Antagonist activity at GAL4-fused human PR LBD (680 to 933 residues) expressed i... | 28051871 |
| Glucocorticoid receptor | IC50 | = | 5800.0 | nM | 5.24 | Antagonist activity at GAL4-fused human GR LBD (443 to 777 residues) expressed i... | 28051871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Mineralocorticoid receptor | 1 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Glucocorticoid receptor | 1 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Androgen receptor | 1 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine