Showing entry for Solifenacin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042114
Compound NameSolifenacin
Structure
FormulaC23H26N2O2
InchiKeyFBOUYBDGKBSUES-VXKWHMMOSA-N
SMILESO=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2
InchiInChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Weight362.2
Pubchem Id154059
Chembl IdCHEMBL1734
Targets of Information Source
DrugBank DB01591
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
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 approved antagonist
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 approved antagonist
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 approved antagonist
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 approved antagonist
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 approved antagonist
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 50370682
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 BXGT013404 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed Ion channel CACNA1C - 6310 - -
reviewed BXGT008116 Potassium voltage-gated channel subfamily E member 1 reviewed Ion channel KCNE1 - 31623 - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 251 - -
reviewed BXGT021735 Potassium voltage-gated channel subfamily D member 3 reviewed Ion channel KCND3 - 50119 - -
reviewed BXGT013478 Sodium channel protein type 5 subunit alpha reviewed Ion channel SCN5A - 6310 - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 1585 - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 - 63.5 - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 - 130.8 - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 - 573.7 - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 10 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 10 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 120 - - -
CHEMBL CHEMBL1734
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
P10980 BXGT007641 Muscarinic acetylcholine receptor M2 reviewed - Chrm2 Ki '=' 120 nM
P10980 BXGT007641 Muscarinic acetylcholine receptor M2 reviewed - Chrm2 Selectivity index '=' 12 -
P08483 BXGT006776 Muscarinic acetylcholine receptor M3 reviewed - Chrm3 Selectivity index '=' 12 -
O60840 BXGT004901 Voltage-dependent L-type calcium channel subunit alpha-1F reviewed Ion channel CACNA1F IC50 '=' 4300 nM
Q01668 BXGT012605 Voltage-dependent L-type calcium channel subunit alpha-1D reviewed Ion channel CACNA1D IC50 '=' 4300 nM
Q13698 BXGT013392 Voltage-dependent L-type calcium channel subunit alpha-1S reviewed Ion channel CACNA1S IC50 '=' 4300 nM
Q13936 BXGT013404 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed Ion channel CACNA1C IC50 '=' 4300 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 251 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 32196 nM
Q14524 BXGT013478 Sodium channel protein type 5 subunit alpha reviewed Ion channel SCN5A IC50 '=' 6309 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 120 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 1584 nM
Q9UK17 BXGT021735 Potassium voltage-gated channel subfamily D member 3 reviewed Ion channel KCND3 IC50 '=' 50118 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Ki '=' 10 nM
P08483 BXGT006776 Muscarinic acetylcholine receptor M3 reviewed - Chrm3 Ki '=' 10 nM
Q13936 BXGT013404 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed Ion channel CACNA1C IC50 '=' 6309 nM
P15382 BXGT008116 Potassium voltage-gated channel subfamily E member 1 reviewed Ion channel KCNE1 IC50 '=' 31622 nM
P51787 BXGT010889 Potassium voltage-gated channel subfamily KQT member 1 reviewed Ion channel KCNQ1 IC50 '=' 31622 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki '=' 51 nM
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki '=' 13 nM
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 Ki '=' 128 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '=' 43 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02359 Eucommia ulmoides Eucommia ulmoides Medicinal Plant
BXGF03689 Jatropha curcas Jatropha curcas 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