Compound Detail
CHEMBL522649
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 | CHEMBL522649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HADIJBYYRMCRPA-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.81
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.47
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 7.68 | 7.65 | 21.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.47 | 6.445 | 340.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8.3 | uM.hr.Kg/mg | Mus musculus |
| CL | 6.2 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 6600.0 | nM | Mus musculus |
| F | 55.0 | % | Mus musculus |
| T1/2 | 3.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 21.0 | nM | 7.68 | Displacement of [3H]niacin from human GPR109A expressed in CHO cells | 19309152 |
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 24.0 | nM | 7.62 | Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-... | 18760600 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 340.0 | nM | 6.47 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS bin... | 19309152 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 380.0 | nM | 6.42 | Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTP... | 18760600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18760600 | 10.1016/j.bmcl.2008.08.030 | Mus musculus | 7 |
| 19309152 | 10.1021/jm900151e | Hydroxycarboxylic acid receptor 2 | 3 |
| 18760600 | 10.1016/j.bmcl.2008.08.030 | Hydroxycarboxylic acid receptor 2 | 2 |
| 19309152 | 10.1021/jm900151e | Adipocyte | 1 |
Data from ChEMBL 36 via Core Engine