Compound Detail
CHEMBL1822157
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Basic Information
| ChEMBL ID | CHEMBL1822157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIAIQIYHXHDQKM-CYVLTUHYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
2.28
ALogP
6
HBA
3
HBD
114.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 4.58 | 4.53 | 26000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 26000.0 | nM | 4.58 | Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Es... | 21846139 |
| Androgen receptor | IC50 | = | 33400.0 | nM | 4.48 | Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP... | 21846139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21846139 | 10.1021/jm200532b | Androgen receptor | 5 |
| 21846139 | 10.1021/jm200532b | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine