CHEMBL1207034
SMILES | O=C(O)CCSC(SCCC(=O)O)c1cccc(CCCc2ccc3ccc(Cl)cc3n2)c1 |
InChIKey | WJJUYIKYSQYJIN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 13 |
Molecular weight (Da) | 503.1 |
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 |
CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |