Compound Detail
CHEMBL442240
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Basic Information
| ChEMBL ID | CHEMBL442240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFWOWAKTWKSIBL-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
4.17
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.82
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.82 | 8.82 | 1.5 | 2 |
| Androgen receptor CHEMBL1871 | Ki | 7.19 | 7.19 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at human androgen receptor in CV1 cells measured as stimulation... | 17034117 |
| Androgen receptor | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at human AR | 17267219 |
| Androgen receptor | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]DHT from human androgen receptor expressed in MDA-MB-453 cel... | 17034117 |
| Androgen receptor | Ki | = | 64.0 | nM | 7.19 | Binding affinity to human AR | 17267219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034117 | 10.1021/jm060792t | Androgen receptor | 5 |
| 17267219 | 10.1016/j.bmcl.2007.01.001 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine