Showing entry for (S)-Laudanosine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001451
Compound Name(S)-Laudanosine
Structure
FormulaC21H27NO4
InchiKeyKGPAYJZAMGEDIQ-UHFFFAOYSA-N
SMILESCOC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1
InchiInChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Molecular Weight357.44
Pubchem Id15548
Chembl IdCHEMBL1407
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 CHEMBL1407
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
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 46 %
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 9 %
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 5011 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 17 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 114 %
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P12390 BXGT007810 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 Ki '=' 100000 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '=' 100000 nM
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 Ki '>' 100000 nM
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 Ki '>' 100000 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 891 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 100000 nM
P09483 BXGT006896 Neuronal acetylcholine receptor subunit alpha-4 reviewed - Chrna4 Ki '>' 100000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 10000 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 107 %
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 19952 nM
P36544 BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed - CHRNA7 EC50 '>' 100000 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 100000 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
Q8R493 BXGT018685 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 IC50 '>' 100000 nM
Q9ERK7 BXGT020309 Neuronal acetylcholine receptor subunit beta-2 reviewed - Chrnb2 IC50 '>' 100000 nM
P12392 BXGT007812 Neuronal acetylcholine receptor subunit beta-4 reviewed - Chrnb4 IC50 '>' 100000 nM
P04757 BXGT006258 Neuronal acetylcholine receptor subunit alpha-3 reviewed - Chrna3 IC50 '>' 100000 nM
P36544 BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed - CHRNA7 IC50 '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
BXGF04977 Papaver sommiferum Papaver sommiferum 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