Compound Detail
CHEMBL4080911
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CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1
Basic Information
| ChEMBL ID | CHEMBL4080911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVWVLVQOGNGGEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
6.01
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 240.0 | nM | 6.62 | Agonist activity at human GPR40 expressed in CHO cells assessed as increase in i... | 28277660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28277660 | 10.1021/acs.jmedchem.6b01357 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine