Compound Detail
CHEMBL5175124
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Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)[C@H](CC(=O)O)CO3)c1
Basic Information
| ChEMBL ID | CHEMBL5175124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWSFZOJDZJGPEN-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
5.31
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.34
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 63.0 | nM | 7.2 | Agonist activity at human FFA1 expressed in CHO cells assessed as increase in ca... | 35051813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35051813 | 10.1016/j.bmc.2022.116615 | Peroxisome proliferator-activated receptor gamma | 1 |
| 35051813 | 10.1016/j.bmc.2022.116615 | Free fatty acid receptor 1 | 1 |
| 35051813 | 10.1016/j.bmc.2022.116615 | Peroxisome proliferator-activated receptor alpha | 1 |
| 35051813 | 10.1016/j.bmc.2022.116615 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine