Compound Detail
CHEMBL3288346
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Basic Information
| ChEMBL ID | CHEMBL3288346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URSOBHRUTRGXRS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
5.63
ALogP
3
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 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.5 | 7.39 | 32.0 | 2 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at human GPR40 expressed in CHO cells assessed as increase in i... | 28277660 |
| Free fatty acid receptor 1 | EC50 | = | 52.0 | nM | 7.28 | Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay | 24835985 |
| Free fatty acid receptor 1 | EC50 | = | 840.0 | nM | 6.08 | Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay | 24835985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28277660 | 10.1021/acs.jmedchem.6b01357 | Free fatty acid receptor 1 | 3 |
| 24835985 | 10.1016/j.bmcl.2014.04.065 | Free fatty acid receptor 1 | 2 |
| 24835985 | 10.1016/j.bmcl.2014.04.065 | No relevant target | 1 |
| 28277660 | 10.1021/acs.jmedchem.6b01357 | Peroxisome proliferator-activated receptor gamma | 1 |
| 28277660 | 10.1021/acs.jmedchem.6b01357 | Free fatty acid receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine