CHEMBL3986396
SMILES | Cc1ccc(C(Nc2c(NC3=CC=CN(C)C3O)c(=O)c2=O)C2CCCS2)o1 |
InChIKey | WOBYQWNRYZGWRU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 401.1 |
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 | 6.42 | 6.42 | 6.42 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 7.36 | 7.36 | 7.36 | ChEMBL |