Compound Detail
CHEMBL2152071
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COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL2152071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHEANNSDVJOIBS-HHHXNRCGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
8.25
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.96 | 5.215 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at GPR40 expressed in CHO cells after 20 seconds by aequorin bi... | 24900539 |
| Free fatty acid receptor 1 | EC50 | = | 34000.0 | nM | 4.47 | Agonist activity at GPR40 expressed in CHO cells after 20 seconds by aequorin bi... | 24900539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900539 | 10.1021/ml300133f | Free fatty acid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine