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 |