CHEMBL4785057
SMILES | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 |
InChIKey | QYQPCBXOKNSAPQ-MHZLTWQESA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 542.2 |
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 | 8.46 | 8.46 | 8.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FFA1 | FFAR1 | Mouse | Free fatty acid | A | pEC50 | 9.23 | 9.23 | 9.23 | ChEMBL |
FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 9.05 | 9.05 | 9.05 | ChEMBL |
FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 7.77 | 8.07 | 8.48 | ChEMBL |