Compound Detail
CHEMBL5074175
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Basic Information
| ChEMBL ID | CHEMBL5074175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGQGLNSXKGFPEV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.07
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 110.0 | nM | 6.96 | Antagonist activity against human androgen receptor expressed in human LNCap cel... | 35077161 |
| Unchecked | IC50 | = | 840.0 | nM | 6.08 | Inhibition of prostate specific antigen expression in human LNCaP cells expressi... | 35077161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35077161 | 10.1021/acs.jmedchem.1c01938 | Unchecked | 5 |
| 35077161 | 10.1021/acs.jmedchem.1c01938 | Androgen receptor | 1 |
| 35077161 | 10.1021/acs.jmedchem.1c01938 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine