Compound Detail
CHEMBL403219
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Basic Information
| ChEMBL ID | CHEMBL403219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQEVMEWKXDDUBJ-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.82
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.05
IC50 1 meas. best 7.05
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 50.0 | nM | 7.3 | Binding affinity to human androgen receptor expressed in monkey COS7 cells by wh... | 18442912 |
| Androgen receptor | EC50 | = | 90.0 | nM | 7.05 | Agonist activity at human androgen receptor african green monkey CV1 cells by co... | 18442912 |
| Androgen receptor | IC50 | = | 89.0 | nM | 7.05 | Activity at androgen receptor in human Saos2 cells assessed as IL6 repression | 18442912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18442912 | 10.1016/j.bmcl.2008.03.085 | Androgen receptor | 7 |
Data from ChEMBL 36 via Core Engine