Compound Detail
CHEMBL338405
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Basic Information
| ChEMBL ID | CHEMBL338405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWXNHFZBFJMHGU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
0.99
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.19
Ki 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | Ki | 5.45 | 5.45 | 3540.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.19 | 4.13 | 64600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | Ki | = | 3500.0 | nM | 5.46 | Binding affinity at GPR109a | 18983141 |
| Hydroxycarboxylic acid receptor 2 | Ki | = | 3540.0 | nM | 5.45 | Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in ... | 12930155 |
| Rattus norvegicus | EC50 | = | 64600.0 | nM | 4.19 | Potency required for stimulation of [35S]GTP gamma-S binding to rat spleen was d... | 12930155 |
| Rattus norvegicus | EC50 | = | 85100.0 | nM | 4.07 | G protein activation was measured by stimulation of [35S]GTP gamma-S binding to ... | 12930155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930155 | 10.1021/jm030888c | Rattus norvegicus | 4 |
| 18983141 | 10.1021/jm800896z | Hydroxycarboxylic acid receptor 2 | 2 |
| 19592242 | 10.1016/j.bmcl.2009.06.054 | Hydroxycarboxylic acid receptor 2 | 2 |
| 12930155 | 10.1021/jm030888c | Hydroxycarboxylic acid receptor 2 | 1 |
| 17588745 | 10.1016/j.bmcl.2007.06.028 | Hydroxycarboxylic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine