CHEMBL3403852
| SMILES | C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCC2)nc(SCc2cccc(F)c2F)n1 |
| InChIKey | PXRZFKNGQMUYCZ-GFCCVEGCSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 459.1 |
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 |
| CXCR2 | CXCR2 | Human | Chemokine | A | pKd | 7.9 | 7.9 | 7.9 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |