Compound Detail
CHEMBL2058529
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Basic Information
| ChEMBL ID | CHEMBL2058529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WROWNDRSPMCZLY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
5.60
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.62 | 6.62 | 239.9 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.22 | 6.22 | 602.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 13.8 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 21.38 | uL.min-1.(10^6cells)-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 239.88 | nM | 6.62 | Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin ... | 22519963 |
| Free fatty acid receptor 1 | EC50 | = | 602.56 | nM | 6.22 | Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin r... | 22519963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| 22519963 | 10.1021/jm300215x | Free fatty acid receptor 4 | 2 |
| 22519963 | 10.1021/jm300215x | Free fatty acid receptor 1 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine