Showing entry for Cotinine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003128
Compound NameCotinine
Structure
FormulaC10H12N2O
InchiKeyUIKROCXWUNQSPJ-UHFFFAOYSA-N
SMILESCN1C(CCC1=O)C1=CN=CC=C1
InchiInChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
IUPAC1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
Molecular Weight176.22
Pubchem Id408
Chembl IdCHEMBL664
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 82069
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 BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 34994517 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 1499685 - -
CHEMBL CHEMBL664
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
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 5011 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 34994516 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 3162 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 5 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 22 nM
Q05941 BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed - Chrna7 Kd '=' 620 nM
P20420 BXGT008572 Neuronal acetylcholine receptor subunit alpha-5 reviewed - Chrna5 Kd '=' 620 nM
P43143 BXGT010361 Neuronal acetylcholine receptor subunit alpha-6 reviewed - Chrna6 Kd '=' 620 nM
P12391 BXGT007811 Neuronal acetylcholine receptor subunit beta-3 reviewed - Chrnb3 Kd '=' 620 nM
Q9JLB5 BXGT020832 Neuronal acetylcholine receptor subunit alpha-10 reviewed - Chrna10 Kd '=' 620 nM
P43144 BXGT010362 Neuronal acetylcholine receptor subunit alpha-9 reviewed - Chrna9 Kd '=' 620 nM
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Kd '=' 620 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Kd '=' 620 nM
P12389 BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed - Chrna2 Kd '=' 620 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Kd '=' 620 nM
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Kd '=' 620 nM
Q05941 BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed - Chrna7 Kd '=' 4700000 nM
P20420 BXGT008572 Neuronal acetylcholine receptor subunit alpha-5 reviewed - Chrna5 Kd '=' 4700000 nM
P43143 BXGT010361 Neuronal acetylcholine receptor subunit alpha-6 reviewed - Chrna6 Kd '=' 4700000 nM
P12391 BXGT007811 Neuronal acetylcholine receptor subunit beta-3 reviewed - Chrnb3 Kd '=' 4700000 nM
Q9JLB5 BXGT020832 Neuronal acetylcholine receptor subunit alpha-10 reviewed - Chrna10 Kd '=' 4700000 nM
P43144 BXGT010362 Neuronal acetylcholine receptor subunit alpha-9 reviewed - Chrna9 Kd '=' 4700000 nM
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Kd '=' 4700000 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Kd '=' 4700000 nM
P12389 BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed - Chrna2 Kd '=' 4700000 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Kd '=' 4700000 nM
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Kd '=' 4700000 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 1499684 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 630957 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00041 Papaya Carica papaya Fruits
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