Compound Detail
CHEMBL4846948
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CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN3CCC4(CCc5ccccc54)CC3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4846948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INEZQTGZUWAXJQ-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
6.33
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 233.0 | nM | 6.63 | Agonist activity at GPR40 (unknown origin) expressed in CHO cells co-expressing ... | 33769827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33769827 | 10.1021/acs.jmedchem.1c00031 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine