Compound Detail
CHEMBL482698
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Basic Information
| ChEMBL ID | CHEMBL482698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALVRTKGVHQDHNJ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.51
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.12
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.12 | 6.42 | 76.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells | 20444602 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 76.0 | nM | 7.12 | Agonist activity at human niacin receptor expressed in CHO-KI cells by [35S]GTPg... | 20444602 |
| Unchecked | IC50 | = | 83.0 | nM | 7.08 | Displacement of [3H]Niacin from human niacin receptor expressed in CHO cells | 18477506 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1900.0 | nM | 5.72 | Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed a... | 24864041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20444602 | 10.1016/j.bmcl.2010.04.001 | Hydroxycarboxylic acid receptor 2 | 2 |
| 24864041 | 10.1016/j.bmc.2014.05.011 | Hydroxycarboxylic acid receptor 2 | 2 |
| 18477506 | 10.1016/j.bmcl.2008.04.071 | Unchecked | 1 |
| 18477506 | 10.1016/j.bmcl.2008.04.071 | No relevant target | 1 |
| 24864041 | 10.1016/j.bmc.2014.05.011 | Hydroxycarboxylic acid receptor 1 | 1 |
| 24864041 | 10.1016/j.bmc.2014.05.011 | Hydroxycarboxylic acid receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine