Compound Detail
CHEMBL345854
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Basic Information
| ChEMBL ID | CHEMBL345854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJUPCQHIHYXXFT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.02
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.71
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.74 | 5.74 | 1828.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 9.0 | nM | 8.05 | Binding affinity for human androgen receptor in transiently-transfected COS-1 ce... | 9484511 |
| Androgen receptor | IC50 | = | 35.0 | nM | 7.46 | Antagonistic activity against human androgen receptor (hAR) in co-transfected CV... | 9484511 |
| Progesterone receptor | IC50 | = | 1828.0 | nM | 5.74 | Antagonistic activity against human progesterone receptor B (hPR-B) in co-transf... | 9484511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484511 | 10.1021/jm970699s | Androgen receptor | 3 |
| 9484511 | 10.1021/jm970699s | Progesterone receptor | 2 |
Data from ChEMBL 36 via Core Engine