Compound Detail
CHEMBL1688454
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Basic Information
| ChEMBL ID | CHEMBL1688454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJIGUHHUXAXYRM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.08
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.62
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.81 | 6.67 | 154.9 | 3 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 4.78 | 4.78 | 16595.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 154.88 | nM | 6.81 | Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin r... | 22519963 |
| Free fatty acid receptor 1 | EC50 | = | 204.17 | nM | 6.69 | Agonist activity at human FFA1 transfected in 1321N1 cells assessed as calcium m... | 24900217 |
| Free fatty acid receptor 1 | EC50 | = | 310.0 | nM | 6.51 | Agonist activity against human GPR40 expressed in CHO cells assessed as increase... | 21319751 |
| Free fatty acid receptor 4 | EC50 | = | 16595.87 | nM | 4.78 | Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin ... | 22519963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900217 | 10.1021/ml100106c | Free fatty acid receptor 1 | 2 |
| 24900217 | 10.1021/ml100106c | Peroxisome proliferator-activated receptor gamma | 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 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine