CHEMBL560386


SMILES COc1cccc2c1O[C@@H](c1ccc(OCCCN3CCCC3)cc1)[C@H](C)S2(=O)=O
InChIKey CHCVZZOPCAVWNV-HTAPYJJXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 431.2

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 Mouse Histamine A pKi 8.23 8.23 8.23 ChEMBL
H3 HRH3 Rat Histamine A pKi 8.55 8.55 8.55 ChEMBL
H3 HRH3 Human Histamine A pKi 9.0 9.2 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pIC50 9.37 9.37 9.37 ChEMBL