cetirizine


SMILES OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1
InChIKey ZKLPARSLTMPFCP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 388.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations H1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 7.1 7.53 8.23 ChEMBL
H1 HRH1 Human Histamine A pKi 5.0 7.68 8.5 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 7.9 7.9 7.9 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.1 8.1 8.1 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database