Compound Detail
CHEMBL1302748
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Basic Information
| ChEMBL ID | CHEMBL1302748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRGCJUJHYQYQHQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.09
ALogP
4
HBA
3
HBD
53.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.34 | 4.91 | 4600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP... | 21846139 |
| Androgen receptor | IC50 | = | 32900.0 | nM | 4.48 | Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Es... | 21846139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21846139 | 10.1021/jm200532b | Androgen receptor | 3 |
| 21846139 | 10.1021/jm200532b | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine