Compound Detail
CHEMBL1084798
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Basic Information
| ChEMBL ID | CHEMBL1084798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYSUVAFFXBQGFQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
3.16
ALogP
7
HBA
2
HBD
131.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.13
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 280.0 | nM | 6.55 | Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells | 20444602 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 7400.0 | nM | 5.13 | Agonist activity at human niacin receptor expressed in CHO-KI cells by [35S]GTPg... | 20444602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20444602 | 10.1016/j.bmcl.2010.04.001 | Hydroxycarboxylic acid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine