varenicline

Ligand id: 5459

Name: varenicline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.81
Molecular weight 211.11
XLogP 1.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2006))
IUPAC Name
(1R,12S)-5,8,14-triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2(11),3,5,7,9-pentaene
International Nonproprietary Names
INN number INN
8366 varenicline
Synonyms
Champix® | Chantix® | compound 9a [PMID: 16171993] | CP 526555
Comments
Marketed formulations usually contain varenicline tartrate (PubChem CID 9906942). ChEMBL represents this compound without specified stereochemistry (see link above).
Database Links
CAS Registry No. 249296-44-4
ChEBI CHEBI:84500
ChEMBL Ligand CHEMBL1396
DrugBank Ligand DB01273
GtoPdb PubChem SID 178102109
PubChem CID 5310966
RCSB PDB Ligand QMR
Search Google for chemical match using the InChIKey JQSHBVHOMNKWFT-DTORHVGOSA-N
Search Google for chemicals with the same backbone JQSHBVHOMNKWFT
Search PubMed clinical trials varenicline
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Search UniChem for chemical match using the InChIKey JQSHBVHOMNKWFT-DTORHVGOSA-N
Search UniChem for chemicals with the same backbone JQSHBVHOMNKWFT
Wikipedia Varenicline

Product suppliers

Tocris
Varenicline tartrate
Cat. No. 3754