saredutant


SMILES CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1
InChIKey PGKXDIMONUAMFR-AREMUKBSSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 551.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
H2 HRH2 Human Histamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
H4 HRH4 Human Histamine A pKi 7.9 7.9 7.9 Guide to Pharmacology
H4 Q91ZY3 Guinea pig Histamine A pKi 6.51 6.51 6.51 ChEMBL
H4 HRH4 Mouse Histamine A pKi 8.28 8.28 8.28 ChEMBL
H4 HRH4 Mouse Histamine A pKd 8.3 8.3 8.3 ChEMBL
H4 HRH4 Rat Histamine A pKi 6.73 6.73 6.73 ChEMBL
H4 HRH4 Rat Histamine A pKd 7.2 7.2 7.2 ChEMBL
H4 HRH4 Human Histamine A pKi 7.9 7.91 7.92 ChEMBL
H4 HRH4 Human Histamine A pKd 7.9 7.9 7.9 ChEMBL
H3 HRH3 Human Histamine A pKi 5.98 5.98 5.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pIC50 8.1 8.1 8.1 ChEMBL