Compound Detail
CHEMBL2151295
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CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(C(C)(C)C)c2)c1
Basic Information
| ChEMBL ID | CHEMBL2151295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUGCGGRRMLWFCI-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
7.35
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 680.0 | nM | 6.17 | 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 | 2 |
Data from ChEMBL 36 via Core Engine