Compound Detail
CHEMBL2164239
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Basic Information
| ChEMBL ID | CHEMBL2164239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSLSCWLXHGWMDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
5.43
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.03 | 8.03 | 9.3 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 5.07 | 5.07 | 8511.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 9.333 | nM | 8.03 | Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells asses... | 22724451 |
| Free fatty acid receptor 4 | EC50 | = | 8511.38 | nM | 5.07 | Agonist activity at GPR120 assessed as stimulation of calcium mobilization | 22724451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22724451 | 10.1021/jm3002026 | Free fatty acid receptor 4 | 2 |
| 22724451 | 10.1021/jm3002026 | Free fatty acid receptor 1 | 2 |
| 22724451 | 10.1021/jm3002026 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine