CHEMBL102840


SMILES CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1
InChIKey DIEXZKWJXAPYGJ-FQEVSTJZSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 427.2

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
H3 HRH3 Rat Histamine A pKi 8.22 8.22 8.22 ChEMBL
H2 HRH2 Human Histamine A pKi 5.64 5.64 5.64 ChEMBL
H1 HRH1 Human Histamine A pKi 4.85 4.85 4.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database