CHEMBL516224
SMILES | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 |
InChIKey | HTGCOGKGWKXISK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 9 |
Molecular weight (Da) | 565.2 |
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 |
CCR3 | CCR3 | Human | Chemokine | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
CCR2 | CCR2 | Human | Chemokine | A | pIC50 | 8.42 | 8.56 | 8.7 | ChEMBL |