Compound Detail
CHEMBL4537797
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
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4537797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPZVGUSFOZNYRM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
5.00
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.22 | 7.22 | 59.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 59.8 | nM | 7.22 | Agonist activity at FFA1 receptor (unknown origin) stably expressed in CHO cells... | 31279294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31279294 | 10.1016/j.ejmech.2019.06.087 | Free fatty acid receptor 1 | 1 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine