Showing entry for Tetrahydropalmatine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027701
Compound NameTetrahydropalmatine
Structure
FormulaC21H25NO4
InchiKeyAEQDJSLRWYMAQI-KRWDZBQOSA-N
SMILESCOc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC
InchiInChI=1S/C21H25NO4/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/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
IUPAC(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular Weight355.18
Pubchem Id72301
Chembl IdCHEMBL487182
Targets of Information Source
DrugBank DB12093
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
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 investigational antagonist
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 investigational 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 50424077
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 BXGT007950 Tissue factor reviewed Receptor F3 - 23 - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A >5000 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 >5000 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 231 - - -
CHEMBL CHEMBL487182
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
P13726 BXGT007950 Tissue factor reviewed Receptor F3 IC50 '=' 22 nM
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Inhibition '=' 84 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 106 %
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 231 nM
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Inhibition '=' 41 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 186 %
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '>' 5000 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Inhibition '=' 85 %
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Inhibition '=' 33 %
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 95 %
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 118 %
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '=' 1371 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Inhibition '=' 96 %
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse Inhibition '=' 25 %
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Ki '>' 1000 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 1125 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '>' 5000 nM
P21918 BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 Ki '=' 305 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 153 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
BXGF01731 Corydalis turtschaninovii Corydalis turtschaninovii Human Edible Plant
BXGF01752 Corydalis decumbens Corydalis decumbens Medicinal Plant
BXGF02810 Passiflora coccinea Passiflora coccinea Human Edible Plant
BXGF03407 Stephania pierrei Stephania pierrei Medicinal Plant
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03498 Coptis deltoidea Coptis deltoidea Medicinal Plant
BXGF03535 Horsfieldia iryaghedhi Horsfieldia iryaghedhi Others
BXGF03640 Fibraurea recisa Fibraurea recisa Medicinal Plant
BXGF03642 Karwinskia subcordata Karwinskia subcordata Others
BXGF03651 Medicago hispida Medicago hispida Human Edible Plant
BXGF03673 Maytenus octogona Maytenus octogona Others
BXGF03728 Agathosma bisulca Agathosma bisulca Others
BXGF03759 Stephania glabra Stephania glabra Medicinal Plant
BXGF03775 Brickellia dentata Brickellia dentata Others
BXGF03808 Hymenoxys ivesiana Hymenoxys ivesiana Others
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF04006 Corydalis ternata Corydalis ternata Others
BXGF04256 Phellodendron chinese Phellodendron chinese Others
BXGF04761 Corydalis tuberosa Corydalis tuberosa Medicinal Plant
BXGF04784 Coptis teeta Coptis teeta Medicinal Plant
BXGF04808 Dovyalis hebecarpa Dovyalis hebecarpa Human Edible Plant
BXGF04841 Lycopodium chinense Lycopodium chinense Others
BXGF04852 Ixeris repens Ixeris repens Medicinal Plant
BXGF04883 Eremophila oppositifolia Eremophila oppositifolia Others
BXGF04892 Achyrocline satureioides Achyrocline satureioides Medicinal Plant
BXGF04894 Taxillus yadoriki Taxillus yadoriki Others
BXGF04912 Corydalis rhizoma Corydalis rhizoma Others
BXGF05506 Coptis chinensis Coptis chinensis Medicinal Plant
BXGF05994 Corydalis yanhusuo Corydalis yanhusuo Medicinal Plant
BXGF06187 Stephania delavayi Stephania delavayi 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