rupatadine


SMILES Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
InChIKey WUZYKBABMWJHDL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 415.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.4 8.4 8.4 ChEMBL
PAF PTAFR Human Platelet-activating factor A pKi 5.43 5.43 5.43 Guide to Pharmacology
H1 HRH1 Guinea pig Histamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAF PTAFR Human Platelet-activating factor A pIC50 5.43 5.43 5.43 ChEMBL
H1 HRH1 Human Histamine A pIC50 8.41 8.41 8.41 ChEMBL
H1 HRH1 Human Histamine A pIC50 8.08 8.08 8.08 Drug Central
H1 HRH1 Human Histamine A pIC50 8.41 8.41 8.41 Guide to Pharmacology
PAF PTAFR Human Platelet-activating factor A pIC50 8.27 8.27 8.27 Drug Central