Compound Detail
CHEMBL5275861
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Basic Information
| ChEMBL ID | CHEMBL5275861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPGUIRLUDNXCFU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
2.10
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
| Free fatty acid receptor 3 CHEMBL5201 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
| Free fatty acid receptor 2 CHEMBL5493 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 51.0 | nM | 7.29 | Agonist activity at human HCA2 expressed in human Flp-In-293 cells assessed as i... | 35694689 |
| Free fatty acid receptor 3 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at FFA3 (unknown origin) expressed in human Flp-In-293 cells as... | 35694689 |
| Free fatty acid receptor 2 | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at FFA2 (unknown origin) expressed in human Flp-In-293 cells as... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | Free fatty acid receptor 2 | 1 |
| 35694689 | 10.1039/d2md00076h | Free fatty acid receptor 3 | 1 |
| 35694689 | 10.1039/d2md00076h | Hydroxycarboxylic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine