cetirizine

Ligand id: 1222

Name: cetirizine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 53.01
Molecular weight 388.16
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
International Nonproprietary Names
INN number INN
5520 cetirizine
Synonyms
Reactine® | Zyrtec®
Comments
Cetirizine( hydrochloride) is an orally active and selective histamine H1 receptor antagonist. The approved drug is a racemic mixture of two enantiomers, (S)-cetirizine and (R)-cetirizine, each of which are listed on Guide to PHARMACOLOGY with activity data. The structure shown here does not specify stereochemistry and represents the mixture.
Database Links
BindingDB Ligand 22890
CAS Registry No. 83881-51-0
ChEBI CHEBI:3561
ChEMBL Ligand CHEMBL1000
DrugBank Ligand DB00341
GtoPdb PubChem SID 135650064
PubChem CID 2678
Search Google for chemical match using the InChIKey ZKLPARSLTMPFCP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZKLPARSLTMPFCP
Search PubMed clinical trials cetirizine
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Search PubMed titles/abstracts cetirizine
Search UniChem for chemical match using the InChIKey ZKLPARSLTMPFCP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZKLPARSLTMPFCP
Wikipedia Cetirizine