aprocitentan


SMILES Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N
InChIKey DKULOVKANLVDEA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 543.9

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pKi 7.96 7.96 7.96 ChEMBL
δ OPRD Human Opioid A pKi 6.82 6.82 6.82 ChEMBL
κ OPRK Human Opioid A pKi 7.77 7.77 7.77 ChEMBL
μ OPRM Human Opioid A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database