CHEMBL3704561
SMILES | CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C3(C)COC3)c(=O)c2=O)c1O |
InChIKey | MDKZHBDTRWWCPS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 441.1 |
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 | 5.79 | 5.79 | 5.79 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |