Compound Detail
CHEMBL3890089
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Basic Information
| ChEMBL ID | CHEMBL3890089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNCRGSHPUGOHT-CYBMUJFWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.96
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 7.96 | 7.78 | 11.0 | 2 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
| Free fatty acid receptor 4 | EC50 | = | 25.0 | nM | 7.6 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
| Free fatty acid receptor 1 | EC50 | = | 4400.0 | nM | 5.36 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase i... | 28105282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 4 | 3 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine