CHEMBL3597529
SMILES | COc1ccccc1CCCCOc1ccc(/C=C/c2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1 |
InChIKey | DVCMDMWEEGUIIT-KNTRCKAVSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 15 |
Molecular weight (Da) | 555.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |