Compound Detail
CHEMBL484783
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Basic Information
| ChEMBL ID | CHEMBL484783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAFOLZBSCNLCQB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.52
ALogP
6
HBA
3
HBD
103.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Adipocyte CHEMBL614658 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [3H]niacin from human GPR109A expressed in CHO cells | 19309152 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 120.0 | nM | 6.92 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS bin... | 19309152 |
| Adipocyte | IC50 | = | 200.0 | nM | 6.7 | Inhibition of lipolysis in IBMX-stimulated human adipocytes assessed as glycerol... | 19309152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19309152 | 10.1021/jm900151e | Hydroxycarboxylic acid receptor 2 | 3 |
| 19309152 | 10.1021/jm900151e | Adipocyte | 1 |
Data from ChEMBL 36 via Core Engine