Compound Detail
CHEMBL3947787
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Basic Information
| ChEMBL ID | CHEMBL3947787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLEOPTWEMLEDDG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
5.70
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 7.19 | 7.19 | 64.0 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.73 | 6.73 | 188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 64.0 | nM | 7.19 | Agonist activity at mouse GPR120 expressed in CHOK1 cells measured after 60 mins... | 27815121 |
| Free fatty acid receptor 4 | EC50 | = | 188.0 | nM | 6.73 | Agonist activity at human 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 | 4 |
| 27815121 | 10.1016/j.bmcl.2016.10.054 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine