CHEMBL2349327
| SMILES | COc1ccccc1CSc1nc(N[C@@H](CO)CC(C)C)c2sc(N)nc2n1 |
| InChIKey | YIKGYASPCLWXCD-CYBMUJFWSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 419.1 |
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 |
| CX3CR1 | CX3C1 | Human | Chemokine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| CXCR2 | CXCR2 | Human | Chemokine | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |