Compound Detail
CHEMBL3238292
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Basic Information
| ChEMBL ID | CHEMBL3238292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIWDCQGAKYSSDT-FQEVSTJZSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.29
ALogP
5
HBA
1
HBD
97.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.41
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 10.41 | 10.13 | 0.0 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.039 | nM | 10.41 | Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase r... | 24527807 |
| Androgen receptor | EC50 | = | 0.14 | nM | 9.85 | Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressi... | 24527807 |
| Androgen receptor | IC50 | = | 3.2 | nM | 8.49 | 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