rivanicline

Ligand id: 3994

Name: rivanicline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 24.92
Molecular weight 162.12
XLogP 1.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
International Nonproprietary Names
INN number INN
8628 rivanicline
Synonyms
metanicotine | RJR-2403 | TC 2403 | TC-2403 | TC2403 | trans-metanicotine
Database Links
CAS Registry No. 15585-43-0 (source: Scifinder)
ChEMBL Ligand CHEMBL132966
PubChem CID 5310967
Search Google for chemical match using the InChIKey JUOSGGQXEBBCJB-GORDUTHDSA-N
Search Google for chemicals with the same backbone JUOSGGQXEBBCJB
Search PubMed clinical trials rivanicline
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Search UniChem for chemical match using the InChIKey JUOSGGQXEBBCJB-GORDUTHDSA-N
Search UniChem for chemicals with the same backbone JUOSGGQXEBBCJB
Wikipedia Rivanicline
Comments
Rivanicline is an agonist at neural nicotinic acetylcholine receptors, binding primarily to the α4β2 subtype [1]. Potential clinical use of rivanicline is discussed in patent US5616707 [2].