(+/-)NICOTINE

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Synonyms
Status
Molecule Category Free-form
EPA CompTox DTXSID3048154

Structure

InChI Key SNICXCGAKADSCV-UHFFFAOYSA-N
Smiles CN1CCCC1c1cccnc1
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2
Molecular Weight 162.24
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 1-35 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 1-35 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 1-5 -
Rattus norvegicus
- - - 1.26-35 -

Cross References

Resources Reference
ChEBI 138000
ChEMBL CHEMBL440464
Guide to Pharmacology 3978
KEGG C16150
PharmGKB PA450626
SureChEMBL SCHEMBL20193
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