Showing entry for Cotinine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048939
Compound NameCotinine
Structure
FormulaC10H12N2O
InchiKeyUIKROCXWUNQSPJ-VIFPVBQESA-N
SMILESO=C1CC[C@H](N1C)c1cccnc1
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/t9-/m0/s1
IUPAC(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Molecular Weight176.09
Pubchem Id854019
Chembl IdCHEMBL578211
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 50370573
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 - >4.00e+5 - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 35000000 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 1500000 - -
CHEMBL CHEMBL578211
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
P54803 BXGT011082 Galactocerebrosidase reviewed - GALC Potency - 562 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 6510 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 5400000 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 1500000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 35000000 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 26679 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 16833 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 28 %
A9XFY4 BXGT001818 Nicotinic acetylcholine receptor alpha 5 subunit unreviewed - nAChRalpha5 Ki '>' 1000000 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 0 %
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 6701 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 106 %
Q7YWJ9 BXGT017236 Carboxylic ester hydrolase unreviewed - Ache IC50 '=' 260000000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '>' 400000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 103 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02527 Nicotiana tabacum Nicotiana tabacum 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