Compound Detail
CHEMBL484719
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Basic Information
| ChEMBL ID | CHEMBL484719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VITRCNYIRMGWGM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.80
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.42 | 6.79 | 38.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Displacement of [3H]Niacin from human niacin receptor expressed in CHO cells | 18477506 |
| Unchecked | IC50 | = | 690.0 | nM | 6.16 | Agonist activity at human niacin receptor expressed in CHO cells by GTPgammaS bi... | 18477506 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 8300.0 | nM | 5.08 | Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed a... | 24864041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18477506 | 10.1016/j.bmcl.2008.04.071 | Unchecked | 2 |
| 24864041 | 10.1016/j.bmc.2014.05.011 | Hydroxycarboxylic acid receptor 2 | 2 |
| 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