CHEMBL1289203
SMILES | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 |
InChIKey | JQPQRYDIQFLFAA-MGDCHWCSSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 547.3 |
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 |
CCR2 | CCR2 | Mouse | Chemokine | A | pIC50 | 7.89 | 8.29 | 8.68 | ChEMBL |
CCR2 | CCR2 | Human | Chemokine | A | pIC50 | 8.64 | 8.75 | 8.85 | ChEMBL |