Compound Detail
CHEMBL463785
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Basic Information
| ChEMBL ID | CHEMBL463785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQXHZCYCKCQFQP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.71
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 5.92 | 5.77 | 1200.0 | 2 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.01 | 4.865 | 9772.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 1200.0 | nM | 5.92 | Agonist activity at human GPR120-G-alpha-16 fusion protein expressed in Flp-in H... | 19007110 |
| Free fatty acid receptor 4 | EC50 | = | 2398.83 | nM | 5.62 | Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin ... | 22519963 |
| Free fatty acid receptor 1 | EC50 | = | 9772.37 | nM | 5.01 | Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin r... | 22519963 |
| Free fatty acid receptor 1 | EC50 | = | 19000.0 | nM | 4.72 | Agonist activity at human GPR40 expressed in T-REx HEK293 cells assessed as effe... | 19007110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19007110 | 10.1021/jm800970b | Free fatty acid receptor 4 | 3 |
| 19007110 | 10.1021/jm800970b | Free fatty acid receptor 1 | 2 |
| 19007110 | 10.1021/jm800970b | Unchecked | 2 |
| 22519963 | 10.1021/jm300215x | Free fatty acid receptor 4 | 2 |
| 22519963 | 10.1021/jm300215x | Free fatty acid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine