Compound Detail
CHEMBL4085695
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Basic Information
| ChEMBL ID | CHEMBL4085695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQQAQMBKNVNIQY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Free fatty acid receptor 1 CHEMBL5411 | EC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 2600.0 | nM | 5.58 | Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by D... | 28374589 |
| Free fatty acid receptor 1 | EC50 | = | 9200.0 | nM | 5.04 | Agonist activity at mouse GPR40 expressed in HEK293 cells assessed as increase i... | 28374589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Free fatty acid receptor 4 | 2 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Free fatty acid receptor 1 | 2 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine