CHEMBL2349181
| SMILES | CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cnccc2Cl)nc2[nH]c(=O)sc12 |
| InChIKey | WKNNSCHBIPUNFV-VHSXEESVSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 425.1 |
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 | 7.68 | 7.68 | 7.68 | ChEMBL |
| CXCR2 | CXCR2 | Human | Chemokine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |