Compound Detail
CHEMBL3984072
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Basic Information
| ChEMBL ID | CHEMBL3984072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJCQGRHXZXBTAZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.2
MW (Da)
5.05
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.32 | 6.32 | 474.0 | 1 |
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 6.31 | 6.31 | 487.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 4640.0 | nM | Mus musculus |
| F | 97.0 | % | Mus musculus |
| T1/2 | 3.3 | hr | Mus musculus |
| Vd | 5.6 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 474.0 | nM | 6.32 | Agonist activity at human GPR120 expressed in CHOK1 cells measured after 60 mins... | 27815121 |
| Free fatty acid receptor 4 | EC50 | = | 487.0 | nM | 6.31 | Agonist activity at mouse GPR120 expressed in CHOK1 cells measured after 60 mins... | 27815121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27815121 | 10.1016/j.bmcl.2016.10.054 | Free fatty acid receptor 4 | 6 |
| 27815121 | 10.1016/j.bmcl.2016.10.054 | ADMET | 5 |
| 27815121 | 10.1016/j.bmcl.2016.10.054 | CHO-K1 | 1 |
| 27815121 | 10.1016/j.bmcl.2016.10.054 | Free fatty acid receptor 1 | 1 |
| 27815121 | 10.1016/j.bmcl.2016.10.054 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine