Compound Detail
CHEMBL1688455
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Basic Information
| ChEMBL ID | CHEMBL1688455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSJPYCVLPLDEIV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.95
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.43 | 6.43 | 371.5 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.72 | 5.3867 | 1905.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 371.54 | nM | 6.43 | Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin ... | 22519963 |
| Free fatty acid receptor 1 | EC50 | = | 1905.46 | nM | 5.72 | Agonist activity at human FFA1 transfected in 1321N1 cells assessed as calcium m... | 24900217 |
| Free fatty acid receptor 1 | EC50 | = | 3600.0 | nM | 5.44 | Agonist activity against human GPR40 expressed in CHO cells assessed as increase... | 21319751 |
| Free fatty acid receptor 1 | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin r... | 22519963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900217 | 10.1021/ml100106c | Free fatty acid receptor 1 | 2 |
| 22519963 | 10.1021/jm300215x | Free fatty acid receptor 4 | 2 |
| 22519963 | 10.1021/jm300215x | Free fatty acid receptor 1 | 2 |
| 21319751 | 10.1021/jm101405t | Free fatty acid receptor 1 | 1 |
| 21319751 | 10.1021/jm101405t | No relevant target | 1 |
| 24900217 | 10.1021/ml100106c | Free fatty acid receptor 3 | 1 |
| 24900217 | 10.1021/ml100106c | Free fatty acid receptor 2 | 1 |
| 24900217 | 10.1021/ml100106c | Peroxisome proliferator-activated receptor gamma | 1 |
| 24900217 | 10.1021/ml100106c | Unchecked | 1 |
| 22519963 | 10.1021/jm300215x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine