Compound Detail
CHEMBL3971308
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O=C(O)[C@@H]1C[C@H]1[C@H]1CCc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1
Basic Information
| ChEMBL ID | CHEMBL3971308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMWFFHNBBDQENV-IIDMSEBBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
4.81
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 7.48 | 7.32 | 33.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 33.0 | nM | 7.48 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
| Free fatty acid receptor 4 | EC50 | = | 69.0 | nM | 7.16 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 4 | 3 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine