desloratadine   Click here for help

GtoPdb Ligand ID: 7157

Synonyms: Clarinex® | SCH-34117
Approved drug Immunopharmacology Ligand
desloratadine is an approved drug (FDA and EMA (2001))
Compound class: Synthetic organic
Comment: Desloratadine is a tricyclic H1-antihistamine. It is the major metabolite of loratadine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 24.92
Molecular weight 310.12
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1
Isomeric SMILES Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1
InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChI Key JAUOIFJMECXRGI-UHFFFAOYSA-N
Bioactivity Comments
Desloratidine is one of a number of drugs that are cationic amphiphilic in nature, for which anti-SARS-CoV-2 activity has been identified in drug repurposing screens. Tummino et al. (2021; bioRxiv preprint PMID: 33791693 target="_blank") suggest that this antiviral activity is most likely a result of the drug promoting phospholipidosis via disruption of lipid homeostasis.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H1 receptor Primary target of this compound Hs Antagonist Antagonist 9.0 pKi - 1
pKi 9.0 (Ki 9.7x10-10 M) [1]