Compound Detail
CHEMBL428724
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Basic Information
| ChEMBL ID | CHEMBL428724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOXIIFXEHPKKJK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.95
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 350.0 | nM | 6.46 | Displacement of [3H]niacin from human GPR109A | 17994679 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 2100.0 | nM | 5.68 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTP-gamma-S b... | 17994679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994679 | 10.1021/jm700942d | Hydroxycarboxylic acid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine