pobilukast
| SMILES | OC(=O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)[C@H](C(=O)O)O |
| InChIKey | PZIFPMYXXCAOCC-JWQCQUIFSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 458.2 |
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 |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 7.89 | 7.89 | 7.89 | Guide to Pharmacology |
| CysLT2 | CLTR2 | Human | Leukotriene | A | pA2 | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |