Compound Detail
CHEMBL235954
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Basic Information
| ChEMBL ID | CHEMBL235954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYILCMCDPLSAFM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
5.04
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.11
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Displacement of [3H]niacin from human GPR109A | 17994679 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 77.0 | nM | 7.11 | Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTP-gamma-S b... | 17994679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994679 | 10.1021/jm700942d | Hydroxycarboxylic acid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine