Compound Detail
CHEMBL254798
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Basic Information
| ChEMBL ID | CHEMBL254798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZPSMGHOSDHPRV-SSDOTTSWSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.2
MW (Da)
3.65
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.46
IC50 1 meas. best 6.7
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.46 | 7.46 | 35.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 32.0 | nM | 7.5 | Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells | 18400499 |
| Androgen receptor | EC50 | = | 35.0 | nM | 7.46 | Agonist activity at human androgen receptor in CV1 cells by transcriptional acti... | 18400499 |
| Androgen receptor | IC50 | = | 199.0 | nM | 6.7 | Antagonist activity at human androgen receptor in CV1 cells by transcriptional a... | 18400499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18400499 | 10.1016/j.bmcl.2008.03.062 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine