rupatadine

Ligand id: 10103

Name: rupatadine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 29.02
Molecular weight 415.18
XLogP 4.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (UK (2007))
IUPAC Name
8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
International Nonproprietary Names
INN number INN
7443 rupatadine
Synonyms
Rinialer® | Rupafin® | UR-12592 [2] | UR12592
Comments
Rupatadine is a second generation histamine H1 receptor and platelet-activating factor (PAF) receptor antagonist [2,5]. It is selective, long-acting and non-sedating. It was designed as a single structure dual antagonist based on evidence that PAF appears to act alongside histamine in the pathogenesis of the allergic response.
Database Links
BindingDB Ligand 50036935
CAS Registry No. 158876-82-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL91397
GtoPdb PubChem SID 381118813
PubChem CID 133017
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