Showing entry for Palmatine Chloride


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0043055
Compound NamePalmatine Chloride
Structure
FormulaC21H22NO4.ClH
InchiKeyRLQYRXCUPVKSAW-UHFFFAOYSA-M
SMILESCOc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC.[Cl-]
InchiInChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1
IUPAC2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride
Molecular Weight352.15
Pubchem Id73442
Chembl IdCHEMBL274189
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 CHEMBL274189
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 7943 nM
P43351 BXGT010380 DNA repair protein RAD52 homolog reviewed Nucleic acid binding RAD52 AC50 '=' 5190 nM
P63000 BXGT011481 Ras-related C3 botulinum toxin substrate 1 reviewed Enzyme modulator RAC1 Inhibition '=' 19 %
Q99572 BXGT019935 P2X purinoceptor 7 reviewed Ion channel P2RX7 Activity - - -
P63000 BXGT011481 Ras-related C3 botulinum toxin substrate 1 reviewed Enzyme modulator RAC1 Inhibition '=' 15 %
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 64 %
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 7 %
Q09428 BXGT013036 ATP-binding cassette sub-family C member 8 reviewed Transporter ABCC8 Activity - - -
Q14654 BXGT013495 ATP-sensitive inward rectifier potassium channel 11 reviewed Ion channel KCNJ11 Activity - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 5623 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 110 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5173 nM
P60953 BXGT011342 Cell division control protein 42 homolog reviewed Enzyme modulator CDC42 Inhibition '=' 8 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 900 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 46 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 44668 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3264 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6513 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 707 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 7 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 89125 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 72 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 97 %
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 3981 nM
P83512 BXGT011991 Snake venom metalloproteinase BaP1 reviewed - IC50 '=' 93300 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 28183 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01696 Coptis japonica Coptis japonica Medicinal Plant
BXGF01752 Corydalis decumbens Corydalis decumbens Medicinal Plant
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03498 Coptis deltoidea Coptis deltoidea Medicinal Plant
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF04256 Phellodendron chinese Phellodendron chinese Others
BXGF04784 Coptis teeta Coptis teeta Medicinal Plant
BXGF05506 Coptis chinensis Coptis chinensis 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