CHEMBL3955132
| SMILES | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 |
| InChIKey | VJVDLRVFJTVWEO-QFIPXVFZSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 475.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Mouse | Free fatty acid | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
| FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 6.82 | 7.83 | 8.52 | ChEMBL |