(+/-)NICOTINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key SNICXCGAKADSCV-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
- - - 1-35 -

Cross References

Resources Reference
ChEBI 138000
ChEMBL CHEMBL440464
EPA CompTox DTXSID3048154
Guide to Pharmacology 3978
KEGG C16150
PharmGKB PA450626
SureChEMBL SCHEMBL20193
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