Compound Detail
CHEMBL389481
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Basic Information
| ChEMBL ID | CHEMBL389481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHDBVRBJWGZQAF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.93
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
EC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.64 | 8.64 | 2.3 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 2.3 | nM | 8.64 | Agonist activity at human androgen receptor expressed in CV1 cells by transcript... | 17439112 |
| Androgen receptor | Ki | = | 23.0 | nM | 7.64 | Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells | 17439112 |
| Progesterone receptor | Ki | = | 5400.0 | nM | 5.27 | Displacement of [3H]progesterone from human PRA | 17439112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17439112 | 10.1021/jm061329j | Androgen receptor | 3 |
| 17439112 | 10.1021/jm061329j | Progesterone receptor | 1 |
| 17439112 | 10.1021/jm061329j | Glucocorticoid receptor | 1 |
| 17439112 | 10.1021/jm061329j | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine