Compound Detail
CHEMBL507671
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Basic Information
| ChEMBL ID | CHEMBL507671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZEYWYWKQCOUOK-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
4.87
ALogP
2
HBA
0
HBD
23.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.27 | 7.005 | 54.0 | 4 |
| Progesterone receptor CHEMBL208 | IC50 | 5.16 | 5.16 | 6950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 54.0 | nM | 7.27 | Antagonist activity at human androgen receptor expressed in human MDA-MB453 cell... | 19201190 |
| Androgen receptor | IC50 | = | 54.0 | nM | 7.27 | Antagonist activity at androgen receptor in human MDA-MB-453 cells coexpressing ... | 20462217 |
| Androgen receptor | IC50 | = | 184.0 | nM | 6.74 | Displacement of [3H]DHT from human cloned androgen receptor expressed in Sf9 cel... | 19201190 |
| Androgen receptor | IC50 | = | 184.0 | nM | 6.74 | Displacement of [3H]DHT from human AR expressed in baculovirus Sf9 cells system ... | 20462217 |
| Progesterone receptor | IC50 | = | 6950.0 | nM | 5.16 | Binding affinity to progesterone receptor by PRB assay | 20462217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Syrian golden hamster | 2 |
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Androgen receptor | 2 |
| 20462217 | 10.1021/jm9018004 | Syrian golden hamster | 2 |
| 20462217 | 10.1021/jm9018004 | Androgen receptor | 2 |
| 20462217 | 10.1021/jm9018004 | No relevant target | 1 |
| 20462217 | 10.1021/jm9018004 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine