CHEMBL234295
SMILES | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O |
InChIKey | PDPPVAWOMSYKMX-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 599.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCR1 | CCR1 | Mouse | Chemokine | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |