CHEMBL4248604
SMILES | NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 |
InChIKey | CNOZLNNAVQPFBD-KESTWPANSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 504.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCR6 | H9YX08 | Rhesus macaque | Chemokine | A | pIC50 | 9.35 | 9.35 | 9.35 | ChEMBL |
CCR7 | CCR7 | Human | Chemokine | A | pIC50 | 5.03 | 5.03 | 5.03 | ChEMBL |
CCR6 | CCR6 | Human | Chemokine | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |