DS69910557


SMILES Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1
InChIKey JAOGFYSXDYNYSX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 610.2

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 Guinea pig Histamine A pKd 7.4 7.4 7.4 ChEMBL
H1 HRH1 Guinea pig Histamine A pKd 5.1 5.1 5.1 ChEMBL
H3 HRH3 Rat Histamine A pKi 7.85 7.88 7.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pEC50 7.4 7.4 7.4 ChEMBL