Compound Detail
CHEMBL4447610
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Basic Information
| ChEMBL ID | CHEMBL4447610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXHAOEBDJOPGRH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
4.48
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 3 CHEMBL5201 | EC50 | 6.3 | 5.65 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 3 | EC50 | = | 501.19 | nM | 6.3 | Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In... | 32141297 |
| Free fatty acid receptor 3 | EC50 | = | 10000.0 | nM | 5.0 | 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 | 3 |
Data from ChEMBL 36 via Core Engine