Compound Detail
CHEMBL4170346
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COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c(F)cn1
Basic Information
| ChEMBL ID | CHEMBL4170346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDYFZJMNHNOYQS-XEGCMXMBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
5.93
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.96 | 6.94 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed a... | 30034601 |
| Free fatty acid receptor 1 | EC50 | = | 1206.0 | nM | 5.92 | Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed a... | 30034601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034601 | 10.1021/acsmedchemlett.8b00149 | Free fatty acid receptor 1 | 4 |
Data from ChEMBL 36 via Core Engine