Compound Detail
CHEMBL591628
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Basic Information
| ChEMBL ID | CHEMBL591628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPSWFBIJAAALET-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.48
ALogP
4
HBA
3
HBD
53.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 5.1 | 5.1 | 8010.4 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 4.96 | 4.73 | 11100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | EC50 | = | 8010.45 | nM | 5.1 | PUBCHEM_BIOASSAY: Image-based HTS for Selective Agonists of GPR55. (Class of ass... | - |
| Androgen receptor | IC50 | = | 11100.0 | nM | 4.96 | Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP... | 21846139 |
| Androgen receptor | IC50 | = | 31500.0 | nM | 4.5 | 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 |
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 21846139 | 10.1021/jm200532b | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine