compound 24 [PMID: 26987013 ]


SMILES O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C
InChIKey SEZYEWZALINSCW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 499.1

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
CCR9 CCR9 Human Chemokine A pKi 8.22 8.22 8.22 Guide to Pharmacology
CCR9 CCR9 Human Chemokine A pKi 7.62 7.91 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database