Compound Detail
CHEMBL4740742
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Basic Information
| ChEMBL ID | CHEMBL4740742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPEIRZRVFDIBKS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.3
MW (Da)
3.13
ALogP
4
HBA
1
HBD
87.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.61
Ki 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.61 | 6.61 | 248.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 6.29 | 6.29 | 509.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 248.0 | nM | 6.61 | Antagonist activity at recombinant human AR expressed in HEK293 cells assessed a... | 33095584 |
| Androgen receptor | Ki | = | 509.0 | nM | 6.29 | Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scin... | 33095584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33095584 | 10.1021/acs.jmedchem.0c00943 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine