CHEMBL1206441
| SMILES | CC(C)(CC[C@H](SCc1ccccn1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)O |
| InChIKey | NTVRREBYUWVPEM-LJAQVGFWSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 532.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |