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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 5LWE

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
ETA EDNRA Rat Endothelin A pIC50 9.38 9.38 9.38 ChEMBL
ETA EDNRA Human Endothelin A pIC50 9.77 9.77 9.77 ChEMBL
ETB EDNRB Human Endothelin A pIC50 4.18 4.46 4.75 ChEMBL