Compound Detail
CHEMBL237543
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL237543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLXBCICQWMMKFY-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.24
ALogP
6
HBA
3
HBD
117.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.89
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 7.24 | 7.24 | 58.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.89 | 5.89 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 58.0 | nM | 7.24 | Displacement of [3H]niacin from human GPR109A | 17994679 |
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 58.0 | nM | 7.24 | Displacement of [3H]niacin from GRP109A receptor | 20452209 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTP-gamma-S b... | 17994679 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1300.0 | nM | 5.89 | Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum | 20452209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994679 | 10.1021/jm700942d | Hydroxycarboxylic acid receptor 2 | 3 |
| 20452209 | 10.1016/j.bmcl.2010.04.013 | Hydroxycarboxylic acid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine