Compound Detail
CHEMBL5077404
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Basic Information
| ChEMBL ID | CHEMBL5077404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJBLJLIDRXSYLK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.97
ALogP
5
HBA
1
HBD
98.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 4160.0 | nM | 5.38 | Antagonist activity against human androgen receptor expressed in human LNCap cel... | 35077161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35077161 | 10.1021/acs.jmedchem.1c01938 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine