Compound Detail
CHEMBL2057604
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Basic Information
| ChEMBL ID | CHEMBL2057604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APQANBAOGDTTDE-QTSITTDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
0.64
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.61 | 5.61 | 2470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 2470.0 | nM | 5.61 | Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in... | 22435740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22435740 | 10.1021/jm2010964 | Hydroxycarboxylic acid receptor 2 | 2 |
| 22435740 | 10.1021/jm2010964 | Hydroxycarboxylic acid receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine