Compound Detail
CHEMBL1288321
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Basic Information
| ChEMBL ID | CHEMBL1288321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZXBEIHRSWLQHT-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.1
MW (Da)
4.56
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
EC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.57 | 6.69 | 27.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 27.0 | nM | 7.57 | Modulation of Androgen receptor (unknown origin) | 35063736 |
| Androgen receptor | IC50 | = | 27.0 | nM | 7.57 | Binding affinity to androgen receptor by fluorescence binding assay | 21036041 |
| Androgen receptor | IC50 | = | 1560.0 | nM | 5.81 | Biological Assay: In order to demonstrate the utility of the compounds of this i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21036041 | 10.1016/j.bmcl.2010.09.140 | Rattus norvegicus | 2 |
| 21036041 | 10.1016/j.bmcl.2010.09.140 | Androgen receptor | 1 |
| 35063736 | 10.1016/j.ejmech.2022.114119 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine