CHEMBL550859
SMILES | COc1ccc2c(c1)c1c(n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCN(CCC(=O)O)C1 |
InChIKey | JUPXEQCJDWAVKT-WEVVVXLNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 551.2 |
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 | Guinea pig | Leukotriene | A | pIC50 | 8.12 | 8.12 | 8.12 | ChEMBL |