Showing entry for R-Nicotine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0035415
Compound NameR-Nicotine
Structure
FormulaC10H14N2
InchiKeySNICXCGAKADSCV-SNVBAGLBSA-N
SMILESCN1CCC[C@@H]1c1cccnc1
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/t10-/m1/s1
IUPAC3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
Molecular Weight162.12
Pubchem Id157672
Chembl IdCHEMBL9732
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 82068
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 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed Chrna4 38 - - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 580000 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 160000 - -
CHEMBL CHEMBL9732
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
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 4466 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 4 nM
Q05941 BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed - Chrna7 Ki '=' 16 nM
P20420 BXGT008572 Neuronal acetylcholine receptor subunit alpha-5 reviewed - Chrna5 Ki '=' 16 nM
P43143 BXGT010361 Neuronal acetylcholine receptor subunit alpha-6 reviewed - Chrna6 Ki '=' 16 nM
P12391 BXGT007811 Neuronal acetylcholine receptor subunit beta-3 reviewed - Chrnb3 Ki '=' 16 nM
Q9JLB5 BXGT020832 Neuronal acetylcholine receptor subunit alpha-10 reviewed - Chrna10 Ki '=' 16 nM
P43144 BXGT010362 Neuronal acetylcholine receptor subunit alpha-9 reviewed - Chrna9 Ki '=' 16 nM
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Ki '=' 16 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 16 nM
P12389 BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed - Chrna2 Ki '=' 16 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 16 nM
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Ki '=' 16 nM
Q05941 BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed - Chrna7 Dopamine release '=' 114 %
P20420 BXGT008572 Neuronal acetylcholine receptor subunit alpha-5 reviewed - Chrna5 Dopamine release '=' 114 %
P43143 BXGT010361 Neuronal acetylcholine receptor subunit alpha-6 reviewed - Chrna6 Dopamine release '=' 114 %
P12391 BXGT007811 Neuronal acetylcholine receptor subunit beta-3 reviewed - Chrnb3 Dopamine release '=' 114 %
Q9JLB5 BXGT020832 Neuronal acetylcholine receptor subunit alpha-10 reviewed - Chrna10 Dopamine release '=' 114 %
P43144 BXGT010362 Neuronal acetylcholine receptor subunit alpha-9 reviewed - Chrna9 Dopamine release '=' 114 %
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Dopamine release '=' 114 %
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Dopamine release '=' 114 %
P12389 BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed - Chrna2 Dopamine release '=' 114 %
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Dopamine release '=' 114 %
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Dopamine release '=' 114 %
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
A9XFY4 BXGT001818 Nicotinic acetylcholine receptor alpha 5 subunit unreviewed - nAChRalpha5 Activity '=' 422 uM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 141 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 87 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 87 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 160000 nM
P02710 BXGT005928 Acetylcholine receptor subunit alpha reviewed - CHRNA1 IC50 '=' 54400 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 35481 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 580000 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 38 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 38 nM
P02710 BXGT005928 Acetylcholine receptor subunit alpha reviewed - CHRNA1 Activity - - -
A9XFY4 BXGT001818 Nicotinic acetylcholine receptor alpha 5 subunit unreviewed - nAChRalpha5 IC50 '=' 422000 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
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