Compound Detail
CHEMBL2058531
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Basic Information
| ChEMBL ID | CHEMBL2058531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHTKDFCQNBUXFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.9
MW (Da)
5.91
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.39 | 6.39 | 407.4 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.29 | 6.29 | 512.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 407.38 | nM | 6.39 | Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin r... | 22519963 |
| Free fatty acid receptor 4 | EC50 | = | 512.86 | nM | 6.29 | Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin ... | 22519963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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