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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

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