vercirnon


SMILES Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C
InChIKey JRWROCIMSDXGOZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 444.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 5LWE

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR9 CCR9 Human Chemokine A pKi 8.0 8.46 8.96 ChEMBL
CCR2 CCR2 Human Chemokine A pKd 10.0 10.0 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR9 CCR9 Human Chemokine A pIC50 6.27 8.05 8.59 ChEMBL
CCR9 CCR9 Human Chemokine A pIC50 8.22 8.22 8.22 Guide to Pharmacology