CHEMBL4798993
| SMILES | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 |
| InChIKey | QBCNRSGMLSPYQX-MHZLTWQESA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 525.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/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 | 8.82 | 8.82 | 8.82 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Mouse | Free fatty acid | A | pEC50 | 9.08 | 9.08 | 9.08 | ChEMBL |
| FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 7.5 | 8.1 | 8.48 | ChEMBL |