Compound Detail
CHEMBL4457531
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4457531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCSQXXUXMHTANR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.23
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 3 CHEMBL5201 | EC50 | 6.16 | 6.04 | 691.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 3 | EC50 | = | 691.83 | nM | 6.16 | Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In... | 32141297 |
| Free fatty acid receptor 3 | EC50 | = | 1202.26 | nM | 5.92 | 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 |
| 32141297 | 10.1021/acs.jmedchem.9b02036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine