nicotine

Ligand id: 2585

Name: nicotine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 16.13
Molecular weight 162.12
XLogP 1.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1984))
IUPAC Name
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Synonyms
Nicorette® | Nicotrol®
Database Links
BindingDB Ligand 50035403
CAS Registry No. 54-11-5
ChEBI CHEBI:17688
ChEMBL Ligand CHEMBL3
DrugBank Ligand DB00184
GtoPdb PubChem SID 53801040
PubChem CID 89594
RCSB PDB Ligand NCT
Search Google for chemical match using the InChIKey SNICXCGAKADSCV-JTQLQIEISA-N
Search Google for chemicals with the same backbone SNICXCGAKADSCV
Search UniChem for chemical match using the InChIKey SNICXCGAKADSCV-JTQLQIEISA-N
Search UniChem for chemicals with the same backbone SNICXCGAKADSCV
Wikipedia Nicotine
Comments
Nicotine is a natural alkaloid of the tobacco plant. It is an addictive stimulant, which is an agonist of most nicotinic acetylcholine receptors (nAChRs) (it is an antagonist of the nAChRα9 and nAChRα10 receptor subtypes).