Showing entry for 2-[(2R,6S)-1-Methyl-6-Phenacylpiperidin-2-Yl]-1-Phenylethanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021636
Compound Name2-[(2R,6S)-1-Methyl-6-Phenacylpiperidin-2-Yl]-1-Phenylethanone
Structure
FormulaC22H25NO2
InchiKeyIDEMKXUAULKYJV-BGYRXZFFSA-N
SMILESCN1[C@H](CCC[C@H]1CC(=O)c1ccccc1)CC(=O)c1ccccc1
InchiInChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+
IUPAC2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone
Molecular Weight335.19
Pubchem Id442647
Chembl IdCHEMBL331161
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 n.a
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
CHEMBL CHEMBL331161
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
Q05941 BXGT012847 Neuronal acetylcholine receptor subunit alpha-7 reviewed - Chrna7 Ki '=' 7800 nM
P20420 BXGT008572 Neuronal acetylcholine receptor subunit alpha-5 reviewed - Chrna5 Ki '=' 7800 nM
P43143 BXGT010361 Neuronal acetylcholine receptor subunit alpha-6 reviewed - Chrna6 Ki '=' 7800 nM
P12391 BXGT007811 Neuronal acetylcholine receptor subunit beta-3 reviewed - Chrnb3 Ki '=' 7800 nM
Q9JLB5 BXGT020832 Neuronal acetylcholine receptor subunit alpha-10 reviewed - Chrna10 Ki '=' 7800 nM
P43144 BXGT010362 Neuronal acetylcholine receptor subunit alpha-9 reviewed - Chrna9 Ki '=' 7800 nM
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Ki '=' 7800 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 7800 nM
P12389 BXGT007809 Neuronal acetylcholine receptor subunit alpha-2 reviewed - Chrna2 Ki '=' 7800 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 7800 nM
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Ki '=' 7800 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01878 Lobelia chinensis Lobelia chinensis Medicinal Plant
BXGF04392 Artemisia carvifolia Artemisia carvifolia Others
BXGF05743 Euphorbia jolkinii Euphorbia jolkinii Others
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