Compound Detail
CHEMBL3944424
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CC(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CC(COc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)C1
Basic Information
| ChEMBL ID | CHEMBL3944424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWRWCJVLQDKKRG-GCIQOJCMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.5
MW (Da)
7.01
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 9.52 | 9.0533 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at human GPR40 expressed in CHO cells coexpressing NFAT BLA ass... | 27825762 |
| Free fatty acid receptor 1 | EC50 | = | 0.3 | nM | 9.52 | GRP40 FLIPR Assays: FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices)... | - |
| Free fatty acid receptor 1 | EC50 | = | 7.6 | nM | 8.12 | Inositol Phosphate Turnover (IP1) Assay 1: The assay was performed in 96-well fo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27825762 | 10.1016/j.bmcl.2016.10.074 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine