Showing entry for Stepholidine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0024722
Compound NameStepholidine
Structure
FormulaC19H21NO4
InchiKeyJKPISQIIWUONPB-HNNXBMFYSA-N
SMILESCOc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O
InchiInChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
IUPAC(13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Molecular Weight327.15
Pubchem Id6917970
Chembl IdCHEMBL487387
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 50378584
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 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 12 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 - 4380 - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 105 - - -
reviewed BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 90 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 - - - 23
reviewed BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 30 - - -
reviewed BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 2239 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 5.9 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 974 - - -
reviewed BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 3748 - - -
reviewed BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 4.4 - - -
reviewed BXGT008448 D(3) dopamine receptor reviewed Drd3 30 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 - 105.41 - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 56.17 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 - 12.29 - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 6.23 - - -
reviewed BXGT008440 D(1A) dopamine receptor reviewed Drd1 - - - 41100
reviewed BXGT007950 Tissue factor reviewed Receptor F3 - 105 - -
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 11 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 3.4 - - -
CHEMBL CHEMBL487387
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
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Inhibition '=' 89 %
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 974 nM
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Ki '=' 3748 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Inhibition '=' 45 %
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 EC50 '=' 41100 nM
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki '=' 2238 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 IC50 '=' 12 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Inhibition '=' 97 %
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Activity - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 5 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 56 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 IC50 - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Imax - - -
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Inhibition '=' 89 %
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Activity - - -
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '>' 5000 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 3 nM
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Inhibition '=' 98 %
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '=' 90 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Inhibition '>' 50 %
P13726 BXGT007950 Tissue factor reviewed Receptor F3 IC50 '=' 104 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 IC50 '=' 105 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Inhibition '=' 99 %
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 105 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 IC50 '=' 4380 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 11 nM
P19020 BXGT008448 D(3) dopamine receptor reviewed - Drd3 Ki '=' 30 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Emax - - -
P21918 BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 Ki '=' 4 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 12 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Inhibition '>' 50 %
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 EC50 '=' 23 nM
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Inhibition '>' 50 %
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 6 nM
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '=' 30 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01549 Sinomenium acutum Sinomenium acutum Medicinal Plant
BXGF02810 Passiflora coccinea Passiflora coccinea Human Edible Plant
BXGF03094 Menispermum dauricum Menispermum dauricum 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
BXGF04892 Achyrocline satureioides Achyrocline satureioides Medicinal Plant
BXGF04931 Polyalthia longifolia var. pendula Polyalthia longifolia var. pendula Others
BXGF05571 Ziziphus jujuba Ziziphus jujuba 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