CHEMBL4464625
SMILES | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 |
InChIKey | CWURGVONIKKCDS-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 453.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 9.0 | 9.41 | 9.7 | ChEMBL |
CCR1 | CCR1 | Mouse | Chemokine | A | pIC50 | 7.36 | 7.36 | 7.36 | ChEMBL |