CHEMBL104618


SMILES O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1
InChIKey YFHPQEMWPYAXGG-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 446.2

Drug properties

Molecular type Small molecule
Physiological/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 8.57 8.57 8.57 ChEMBL
H2 HRH2 Human Histamine A pKi 5.81 5.81 5.81 ChEMBL
H1 HRH1 Human Histamine A pKi 5.03 5.03 5.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database