Compound Detail
CHEMBL5219102
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Basic Information
| ChEMBL ID | CHEMBL5219102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCRLDDWRDAIHGO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.50
ALogP
8
HBA
2
HBD
116.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.11 | 5.4967 | 776.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 776.25 | nM | 6.11 | Positive allosteric modulation of GPR40 (unknown origin) | 35981459 |
| Free fatty acid receptor 1 | EC50 | = | 6456.54 | nM | 5.19 | Agonist activity at GPR40 (unknown origin) | 35981459 |
| Free fatty acid receptor 1 | EC50 | = | 6500.0 | nM | 5.19 | Agonist activity at FFAR1 (unknown origin) | 36518697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35981459 | 10.1016/j.ejmech.2022.114645 | Free fatty acid receptor 1 | 4 |
| 36518697 | 10.1021/acsmedchemlett.2c00160 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine