Compound Detail
CHEMBL235740
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Basic Information
| ChEMBL ID | CHEMBL235740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUCHRHOVXUFQLY-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.11
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.3
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 6.3 | 6.1 | 500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]niacin from human GPR109A | 17994679 |
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-... | 18760600 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 500.0 | nM | 6.3 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS bin... | 19309152 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTP-gamma-S b... | 17994679 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTP... | 18760600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994679 | 10.1021/jm700942d | Hydroxycarboxylic acid receptor 2 | 2 |
| 18760600 | 10.1016/j.bmcl.2008.08.030 | Hydroxycarboxylic acid receptor 2 | 2 |
| 19309152 | 10.1021/jm900151e | Hydroxycarboxylic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine