Compound Detail
CHEMBL519966
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Basic Information
| ChEMBL ID | CHEMBL519966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHKNCBRCIAXEGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.61
ALogP
4
HBA
2
HBD
83.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL4420 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 47.0 | mL.min-1.kg-1 | Mus musculus |
| F | 57.0 | % | Mus musculus |
| T1/2 | 1.8 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 80.0 | nM | 7.1 | Displacement of [3H]nicotinic acid from mouse GPR109a receptor | 19307116 |
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]nicotinic acid from human GPR109a receptor | 19307116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19307116 | 10.1016/j.bmcl.2009.03.014 | Mus musculus | 4 |
| 19307116 | 10.1016/j.bmcl.2009.03.014 | Hydroxycarboxylic acid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine