Compound Detail
CHEMBL4551085
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Basic Information
| ChEMBL ID | CHEMBL4551085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJEHNGRJRSDSME-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.16
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.74
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 3 CHEMBL5201 | EC50 | 5.17 | 4.625 | 6760.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 3 | EC50 | = | 6760.83 | nM | 5.17 | Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 ... | 32141297 |
| Free fatty acid receptor 3 | EC50 | = | 83176.38 | nM | 4.08 | Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 ... | 32141297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32141297 | 10.1021/acs.jmedchem.9b02036 | Free fatty acid receptor 3 | 4 |
Data from ChEMBL 36 via Core Engine