Compound Detail
CHEMBL3706898
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Basic Information
| ChEMBL ID | CHEMBL3706898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNKRRWINMVLNQY-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
3.08
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.08
IC50 1 meas. best 7.72
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 | 7.72 | 7.72 | 19.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.08 | 7.08 | 83.0 | 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 to human androgen receptor expressed in CV1 cells | 17257838 |
| Androgen receptor | IC50 | = | 19.0 | nM | 7.72 | Antagonist activity at human androgen receptor expressed in CV1 cells | 17257838 |
| Androgen receptor | EC50 | = | 83.0 | nM | 7.08 | Agonist activity at human androgen receptor expressed in CV1 cells | 17257838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17257838 | 10.1016/j.bmcl.2007.01.007 | Androgen receptor | 5 |
| 17257838 | 10.1016/j.bmcl.2007.01.007 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine