CHEMBL4784555
| SMILES | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 |
| InChIKey | QYMPSBVGDMAOKX-NDEPHWFRSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 538.3 |
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 | 7.54 | 7.54 | 7.54 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Mouse | Free fatty acid | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
| FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 6.89 | 7.18 | 7.64 | ChEMBL |