Showing entry for (+/-)Nicotine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046653
Compound Name(+/-)Nicotine
Structure
FormulaC10H14N2
InchiKeySNICXCGAKADSCV-UHFFFAOYSA-N
SMILESCN1CCCC1c1cccnc1
InchiInChI=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
IUPAC3-(1-methylpyrrolidin-2-yl)pyridine
Molecular Weight162.12
Pubchem Id942
Chembl IdCHEMBL440464
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50004108
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 1.05 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 26.25 - - -
reviewed BXGT011316 Alpha-bungarotoxin reviewed - 1700 - - -
reviewed BXGT011316 Alpha-bungarotoxin reviewed - 900 - - -
reviewed BXGT009022 Acetylcholine receptor subunit alpha reviewed Chrna1 >10000 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 1 - - -
reviewed BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed CHRNA7 2000 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 >10000 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 1 - - -
reviewed BXGT013602 Neuronal acetylcholine receptor subunit alpha-2 reviewed Ion channel CHRNA2 9900 - - -
reviewed BXGT009616 Neuronal acetylcholine receptor subunit alpha-3 reviewed Ion channel CHRNA3 >10000 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 6690 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 4.9 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 7.7 - - -
reviewed BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed Chrna3 475 - - -
reviewed BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed Chrna3 100 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 0.84 - - -
reviewed BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed Chrna7 130 - - -
reviewed BXGT010362 Neuronal acetylcholine receptor subunit alpha-9 reviewed Chrna9 1000 - - -
reviewed BXGT009616 Neuronal acetylcholine receptor subunit alpha-3 reviewed Ion channel CHRNA3 14 - - -
reviewed BXGT009616 Neuronal acetylcholine receptor subunit alpha-3 reviewed Ion channel CHRNA3 187 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 4.6 - - -
reviewed BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed Chrna2 3.6 - - -
reviewed BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed Chrna2 83 - - -
reviewed BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed Chrna3 290 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 8.3 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 74 - - -
reviewed BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed Chrna7 >10000 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 2 - - -
reviewed BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed Chrna2 12 - - -
reviewed BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed Chrna2 110 - - -
reviewed BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed Chrna3 47 - - -
reviewed BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed Chrna3 440 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 10 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 40 - - -
reviewed BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed Chrna7 668 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 1.5 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 7 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 4 - - -
reviewed BXGT011224 Acetylcholine-binding protein reviewed - 83 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 6 - - -
reviewed BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed Chrna7 170 - - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 26300 - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 - 142400 - -
reviewed BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed Chrna7 770 - - -
reviewed BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 1.26 - - -
reviewed BXGT017908 High affinity choline transporter 1 reviewed Slc5a7 520115.74 - - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 245470.89 - -
CHEMBL CHEMBL440464
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 2 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 2 nM
Q8BGY9 BXGT017908 High affinity choline transporter 1 reviewed - Slc5a7 Ki '=' 520115 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 1 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 1 nM
Q2MKA5 BXGT014139 Neuronal acetylcholine receptor subunit alpha-5 reviewed - Chrna5 Ki '=' 1 nM
Q91X60 BXGT019305 Neuronal acetylcholine receptor subunit alpha-2 reviewed - Chrna2 Ki '=' 1 nM
Q8R4G9 BXGT018687 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Ki '=' 1 nM
Q8R493 BXGT018685 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Ki '=' 1 nM
Q8BMN3 BXGT017918 Neuronal acetylcholine receptor subunit beta-3 reviewed - Chrnb3 Ki '=' 1 nM
Q9R0W9 BXGT021409 Neuronal acetylcholine receptor subunit alpha-6 reviewed - Chrna6 Ki '=' 1 nM
O70174 BXGT005058 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 1 nM
P49582 BXGT010711 Neuronal acetylcholine receptor subunit alpha-7 reviewed - Chrna7 Ki '=' 1 nM
Q9ERK7 BXGT020309 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 1 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 35 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 35 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 26300 nM
A9XFY4 BXGT001818 Nicotinic acetylcholine receptor alpha 5 subunit unreviewed - nAChRalpha5 Ki '=' 59900 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 245470 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 142400 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 10000 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1636 nM
Q7YWJ9 BXGT017236 Carboxylic ester hydrolase unreviewed - Ache IC50 '=' 620000 nM
Q7YWJ9 BXGT017236 Carboxylic ester hydrolase unreviewed - Ache IC50 '=' 230000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
BXGF01450 Caltha palustris Caltha palustris Medicinal Plant
BXGF02330 Codonopsis pilosula Codonopsis pilosula Medicinal Plant
BXGF02527 Nicotiana tabacum Nicotiana tabacum Medicinal Plant
BXGF03052 Eclipta prostrata Eclipta prostrata Medicinal Plant
BXGF03086 Sophora alopecuroides Sophora alopecuroides Medicinal Plant
BXGF04963 Equisetum hiemale Equisetum hiemale Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease