Showing entry for N-Methyllaurotetanine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017369
Compound NameN-Methyllaurotetanine
Structure
FormulaC20H23NO4
InchiKeyZFLRVRLYWHNAEC-AWEZNQCLSA-N
SMILESCOc1c(OC)cc2c3c1c1cc(OC)c(cc1C[C@@H]3N(CC2)C)O
InchiInChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
IUPAC(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol
Molecular Weight341.16
Pubchem Id16573
Chembl IdCHEMBL464099
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 50250422
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 373 - - -
reviewed BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 20 - - -
reviewed BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 306 - - -
reviewed BXGT010594 5-hydroxytryptamine receptor 5A reviewed G-protein coupled receptor HTR5A 566 - - -
reviewed BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B 323 - - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A 314 - - -
reviewed BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C >950 - - -
reviewed BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B >950 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C >950 - - -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 >950 - - -
reviewed BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 >950 - - -
reviewed BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 >950 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 >950 - - -
reviewed BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 >950 - - -
reviewed BXGT011959 Cholinesterase reviewed BCHE - 218810 - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A - - - 160
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A 85 - - -
CHEMBL CHEMBL464099
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 Ki '=' 85 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 Ki '>' 950 nM
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Inhibition '<' 50 %
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Inhibition '<' 50 %
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A EC50 '=' 160 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE IC50 '=' 218810 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 - - -
P46098 BXGT010507 5-hydroxytryptamine receptor 3A reviewed Ion channel HTR3A Inhibition '<' 50 %
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 Inhibition '<' 50 %
P50406 BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 Ki '=' 306 nM
P28566 BXGT009274 5-hydroxytryptamine receptor 1E reviewed G-protein coupled receptor HTR1E Inhibition '<' 50 %
P47898 BXGT010594 5-hydroxytryptamine receptor 5A reviewed G-protein coupled receptor HTR5A Ki '=' 566 nM
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B Ki '=' 323 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Ki '>' 950 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Inhibition '<' 50 %
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Inhibition '<' 50 %
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Inhibition '<' 50 %
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Ki '>' 950 nM
P16257 BXGT008211 Translocator protein reviewed - Tspo Inhibition '<' 50 %
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 Ki '>' 950 nM
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '=' 314 nM
Q9Y5N1 BXGT022297 Histamine H3 receptor reviewed G-protein coupled receptor HRH3 Inhibition '<' 50 %
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Inhibition '<' 50 %
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '>' 950 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 373 nM
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B Ki '>' 950 nM
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki '>' 950 nM
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 Ki '>' 950 nM
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Inhibition '<' 50 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 38 %
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B Inhibition '<' 50 %
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Inhibition '<' 50 %
P21918 BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 Inhibition '<' 50 %
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Inhibition '<' 50 %
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Inhibition '<' 50 %
Q60492 BXGT015986 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Inhibition '<' 50 %
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Inhibition '<' 50 %
P34969 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 Ki '=' 20 nM
P35367 BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 Inhibition '<' 50 %
Q9H3N8 BXGT020463 Histamine H4 receptor reviewed G-protein coupled receptor HRH4 Inhibition '<' 50 %
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 50 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00301 Cherimoya Annona cherimola Fruits
BXGF00446 Sugar apple Annona squamosa Fruits
BXGF00999 Vachellia karroo Vachellia karroo Medicinal Plant
BXGF01060 Baccharis grandicapitulata Baccharis grandicapitulata Others
BXGF01079 Renealmia alpinia Renealmia alpinia Human Edible Plant
BXGF01207 Morella pensylvanica Morella pensylvanica Others
BXGF01276 Delphinium giraldii Delphinium giraldii Medicinal Plant
BXGF01337 Stellaria media Stellaria media Medicinal Plant
BXGF01493 Curcuma aeruginosa Curcuma aeruginosa Medicinal Plant
BXGF01603 Piper brachystachyum Piper brachystachyum Medicinal Plant
BXGF01688 Tephroseris kirilowii Tephroseris kirilowii Medicinal Plant
BXGF01731 Corydalis turtschaninovii Corydalis turtschaninovii Human Edible Plant
BXGF01967 Senecio congestus Senecio congestus Medicinal Plant
BXGF02124 Papaver pseudocanescens Papaver pseudocanescens Others
BXGF02179 Cephalaria leucantha Cephalaria leucantha Others
BXGF02242 Sideritis dasygnaphala Sideritis dasygnaphala Others
BXGF02382 Gutierrezia dracunculoides Gutierrezia dracunculoides Others
BXGF02423 Psidium acutangulum Psidium acutangulum Human Edible Plant
BXGF02440 Beesia calthifolia Beesia calthifolia Others
BXGF02483 Bursera kerberi Bursera kerberi Others
BXGF02514 Helenium integrifolium Helenium integrifolium Others
BXGF02543 Rhododendron mucronulatum Rhododendron mucronulatum Medicinal Plant
BXGF02570 Euonymus fortunei Euonymus fortunei Medicinal Plant
BXGF02613 Phlomis crinita Phlomis crinita Medicinal Plant
BXGF02665 Crotalaria stolzii Crotalaria stolzii Others
BXGF02682 Selinum libanotis Selinum libanotis Others
BXGF02718 Melampodium leucanthum Melampodium leucanthum Others
BXGF02734 Clerodendrum trichotomum Clerodendrum trichotomum Medicinal Plant
BXGF02750 Juniperus scopulorum Juniperus scopulorum Medicinal Plant
BXGF02753 Diplacus aurantiacus Diplacus aurantiacus Others
BXGF02785 Clinacanthus nutans Clinacanthus nutans Medicinal Plant
BXGF02827 Alstonia angustiloba Alstonia angustiloba Others
BXGF02840 Lasianthaea podocephala Lasianthaea podocephala Others
BXGF02855 Eucalyptus albens Eucalyptus albens Others
BXGF02908 Pellacalyx axillaris Pellacalyx axillaris Others
BXGF02950 Boschniakia rossica Boschniakia rossica Medicinal Plant
BXGF03256 Platycodon grandiflorus Platycodon grandiflorus Medicinal Plant
BXGF03817 Coffea liberica var. dewevrei Coffea liberica var. dewevrei Medicinal Plant
BXGF04006 Corydalis ternata Corydalis ternata Others
BXGF04011 Botrychium ternatum Botrychium ternatum Medicinal Plant
BXGF04260 Polanisia trachysperma Polanisia trachysperma Human Edible Plant
BXGF04321 Eupatorium rebaudianum Eupatorium rebaudianum Medicinal Plant
BXGF04399 Solanum boerhaavii Solanum boerhaavii Others
BXGF04437 Coleus wulfenioides Coleus wulfenioides Others
BXGF04476 Polygala senega Polygala senega Medicinal Plant
BXGF04505 Bursera simaruba Bursera simaruba Medicinal Plant
BXGF04510 Delphinium denudatum Delphinium denudatum Medicinal Plant
BXGF04685 Mentha incana Mentha incana Others
BXGF04764 Ericameria laricifolia Ericameria laricifolia Others
BXGF04773 Cissus quadrangularis Cissus quadrangularis Medicinal Plant
BXGF04815 Litsea cubeba Litsea cubeba Medicinal Plant
BXGF04823 Ormosia fordiana Ormosia fordiana Others
BXGF04859 Loranthus longiflorus Loranthus longiflorus Medicinal Plant
BXGF04869 Callistemon speciosus Callistemon speciosus Others
BXGF04902 Lupinus cosentinii Lupinus cosentinii Others
BXGF05030 nectandra salicifolia nectandra salicifolia Others
BXGF05318 Hedysarum gmelini Hedysarum gmelini Others
BXGF05465 Euploca racemosa Euploca racemosa Others
BXGF05994 Corydalis yanhusuo Corydalis yanhusuo Medicinal Plant
BXGF06062 Podocarpus elatus Podocarpus elatus Medicinal Plant
BXGF06271 Artemisia pectinata Artemisia pectinata Others
BXGF06307 Zephyranthes flava Zephyranthes flava Others
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