Compound Detail
CHEMBL5414403
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Cc1cc(OCC2CCOC2)cc(C)c1-c1cccc(COc2ccc([S+]([O-])CC(=O)O)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5414403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEWGLRZUYSZWLH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.16
ALogP
5
HBA
1
HBD
88.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.04 | 7.04 | 90.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 90.15 | nM | 7.04 | Agonist activity at human GPR40 expressed in HEK293 cells by Fluo4-AM dye based ... | 36933395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36933395 | 10.1016/j.ejmech.2023.115267 | Free fatty acid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine