CHEMBL3577932
SMILES | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C |
InChIKey | OKIJQELRSBSEJX-PMACEKPBSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 517.3 |
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 |
CCR2 | CCR2 | Human | Chemokine | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 6.86 | 6.86 | 6.86 | ChEMBL |