CHEMBL3597631
| SMILES | Cc1c(CCCC(=O)O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(=O)O |
| InChIKey | HUIIHFBKBWWWJM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 623.2 |
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 |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 8.44 | 8.44 | 8.44 | ChEMBL |
| CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pIC50 | 8.59 | 8.59 | 8.59 | ChEMBL |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 8.55 | 8.55 | 8.55 | ChEMBL |