Compound Detail
CHEMBL402136
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Basic Information
| ChEMBL ID | CHEMBL402136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXSGLSUAYLGASU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.3
MW (Da)
4.11
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.11 | 6.715 | 78.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 27.0 | nM | 7.57 | Binding affinity to human androgen receptor expressed in monkey COS7 cells by wh... | 18442912 |
| Androgen receptor | IC50 | = | 78.0 | nM | 7.11 | Antagonist activity at human androgen receptor african green monkey CV1 cells by... | 18442912 |
| Androgen receptor | IC50 | = | 477.0 | nM | 6.32 | 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