Compound Detail
CHEMBL3973101
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Basic Information
| ChEMBL ID | CHEMBL3973101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJJBCZREWOBDBI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
4.91
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.27 | 5.27 | 5406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 7.0 | nM | 8.15 | Agonist activity at mouse GPR120 expressed in CHOK1 cells measured after 60 mins... | 27815121 |
| Free fatty acid receptor 4 | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at human GPR120 expressed in CHOK1 cells measured after 60 mins... | 27815121 |
| Free fatty acid receptor 1 | EC50 | = | 5406.0 | nM | 5.27 | Agonist activity at human GPR40 measured after 60 mins by IP1-HTRF assay | 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 | 2 |
Data from ChEMBL 36 via Core Engine