Compound Detail
CHEMBL3628756
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Basic Information
| ChEMBL ID | CHEMBL3628756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHCQHSPPDMHXHP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.55
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
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 | 7.17 | 65.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 65.9 | nM | 7.18 | Agonist activity at human FFA1 receptor expressed in CHO cells assessed as incre... | 26482570 |
| Free fatty acid receptor 1 | EC50 | = | 69.3 | nM | 7.16 | Agonist activity at FFA1 receptor (unknown origin) stably expressed in CHO cells... | 31279294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26482570 | 10.1016/j.bmc.2015.10.011 | Free fatty acid receptor 1 | 2 |
| 26482570 | 10.1016/j.bmc.2015.10.011 | No relevant target | 1 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | Free fatty acid receptor 1 | 1 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine