CHEMBL245182
| SMILES | CCN(CC)c1nc2nc(SCc3cccc(F)c3F)nc(NC(CO)CO)c2s1 |
| InChIKey | NLPPWXUFBJZKEB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 455.1 |
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 |
| CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |