CHEMBL231829
SMILES | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O |
InChIKey | OWMGOMSSWLIZMB-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 500.2 |
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 | 6.21 | 6.21 | 6.21 | ChEMBL |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 7.58 | 7.7 | 7.77 | ChEMBL |