CHEMBL313177
SMILES | O=C(O)CC1(CS[C@H](CCc2ccccc2C(O)(C(F)(F)F)C(F)(F)F)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 |
InChIKey | PTQNWRHPFTVLJE-PVOYRIJTSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 733.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 8.19 | 8.19 | 8.19 | ChEMBL |