Compound Detail
CHEMBL3233071
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Basic Information
| ChEMBL ID | CHEMBL3233071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPSKHUQVAQWGKY-IBGZPJMESA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
3.58
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.6
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 9.6 | 9.225 | 0.2 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.25 | nM | 9.6 | Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase r... | 24527807 |
| Androgen receptor | EC50 | = | 1.4 | nM | 8.85 | Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressi... | 24527807 |
| Androgen receptor | IC50 | = | 9.1 | nM | 8.04 | Displacement of [3H]mibolerone from full length human AR expressed in COS cells ... | 24527807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24527807 | 10.1021/jm401625b | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine