CHEMBL3701187
SMILES | Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N4CCC[C@@H]4C(=O)OC(C)(C)C)c3O)c(=O)c2=O)C2(C)COC2)o1 |
InChIKey | SZNHUSHUOHAGBP-ICCFGIFFSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
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 |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |