Compound Detail
CHEMBL4459220
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COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(F)(F)C(=O)O)c3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL4459220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXHRJKOTJVKQIJ-UAVUOLJFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
6.40
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 16.0 | nM | 7.8 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction ... | 30655940 |
| Free fatty acid receptor 1 | EC50 | = | 34.0 | nM | 7.47 | Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of... | 30655940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655940 | 10.1021/acsmedchemlett.8b00444 | Free fatty acid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine