CHEMBL3979652
SMILES | Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1 |
InChIKey | VWSXKWXISJLOQM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 453.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
CXCR6 | CXCR6 | Human | Chemokine | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
ACKR3 | ACKR3 | Human | Chemokine | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.68 | 6.25 | 6.61 | ChEMBL |
CXCR3 | CXCR3 | Human | Chemokine | A | pIC50 | 8.9 | 8.9 | 8.9 | ChEMBL |
CXCR4 | CXCR4 | Human | Chemokine | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 7.03 | 7.14 | 7.28 | ChEMBL |