CHEMBL1382320


SMILES O=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIKey QPVPCRMOVBLWQG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 443.1

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
CXCR5 CXCR5 Human Chemokine A pIC50 5.16 5.16 5.16 ChEMBL
CCR6 CCR6 Human Chemokine A pIC50 4.65 4.83 5.02 ChEMBL
apelin APJ Human Apelin A pIC50 4.96 4.96 4.96 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.6 4.6 4.6 ChEMBL