Compound Detail
CHEMBL4209845
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Basic Information
| ChEMBL ID | CHEMBL4209845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOEJGAGLGMRRHY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.41
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.18 | 6.89 | 66.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 66.07 | nM | 7.18 | Agonist activity at human FFA1 receptor expressed in CHO cells assessed as incre... | 28689096 |
| Free fatty acid receptor 1 | EC50 | = | 251.6 | nM | 6.6 | Agonist activity at human GPR40 expressed in HEK293 cells by Fluo4-AM dye based ... | 36933395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28689096 | 10.1016/j.ejmech.2017.07.001 | Free fatty acid receptor 1 | 2 |
| 36933395 | 10.1016/j.ejmech.2023.115267 | Free fatty acid receptor 1 | 2 |
| 28689096 | 10.1016/j.ejmech.2017.07.001 | No relevant target | 1 |
| 28689096 | 10.1016/j.ejmech.2017.07.001 | HepG2 | 1 |
| 36933395 | 10.1016/j.ejmech.2023.115267 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine