CHEMBL2018959
| SMILES | COc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1OC |
| InChIKey | GGAQTSDQMPFHNX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 493.1 |
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 |
| CCR4 | CCR4 | Human | Chemokine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| CCR4 | CCR4 | Human | Chemokine | A | pKd | 5.6 | 5.6 | 5.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR4 | CCR4 | Human | Chemokine | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |