Compound Detail
CHEMBL3311302
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Basic Information
| ChEMBL ID | CHEMBL3311302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZCQEUZTOAAWDK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.17
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Free fatty acid receptor 4 CHEMBL3309099 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | IC50 | 7.1 | 6.46 | 79.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of mouse FFA4 receptor expressed in U2OS cells | 24881566 |
| Free fatty acid receptor 4 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of rat FFA4 receptor expressed in U2OS cells | 24881566 |
| Free fatty acid receptor 4 | IC50 | = | 79.43 | nM | 7.1 | Inhibition of human FFA4 receptor expressed in U2OS cells | 24881566 |
| Free fatty acid receptor 4 | IC50 | = | 1520.57 | nM | 5.82 | GPCR PRESTO-Tango dose-response in antagonist mode with target: FFAR4 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 343 |
| - | 10.6019/CHEMBL4689842 | U2OS | 341 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 339 |
| 24881566 | 10.1016/j.bmcl.2014.05.012 | Free fatty acid receptor 4 | 6 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| 24881566 | 10.1016/j.bmcl.2014.05.012 | Free fatty acid receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine