CHEMBL3704566
SMILES | COc1ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c(O)n1 |
InChIKey | BFIBWVQMMDUUOU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 399.1 |
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 |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 5.99 | 5.99 | 5.99 | ChEMBL |