Showing entry for Mescaline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0013070
Compound NameMescaline
Structure
FormulaC11H17NO3
InchiKeyRHCSKNNOAZULRK-UHFFFAOYSA-N
SMILESNCCc1cc(OC)c(c(c1)OC)OC
InchiInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
IUPAC2-(3,4,5-trimethoxyphenyl)ethanamine
Molecular Weight211.12
Pubchem Id4076
Chembl IdCHEMBL26687
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 50059891
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 BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 150 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 5500 - - -
reviewed BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B 795.1 - - -
reviewed BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C 302.8 - - -
reviewed BXGT006838 5-hydroxytryptamine receptor 2C reviewed Htr2c - - - 24000
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a - - - 4000
reviewed BXGT008472 5-hydroxytryptamine receptor 1A reviewed Htr1a 6900 - - -
reviewed BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A 551 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a - - - 2600
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a - - - 11300
reviewed BXGT006838 5-hydroxytryptamine receptor 2C reviewed Htr2c 380 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 360 - - -
CHEMBL CHEMBL26687
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
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '=' 360 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Activity '=' 86 %
P28565 BXGT009273 5-hydroxytryptamine receptor 1D reviewed - Htr1d Kd '=' 2238 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Kd '=' 2238 nM
P35364 BXGT009819 5-hydroxytryptamine receptor 5A reviewed - Htr5a Kd '=' 2238 nM
P30940 BXGT009484 5-hydroxytryptamine receptor 1F reviewed - Htr1f Kd '=' 2238 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Kd '=' 2238 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Kd '=' 2238 nM
Q62758 BXGT016041 5-hydroxytryptamine receptor 4 reviewed - Htr4 Kd '=' 2238 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Kd '=' 2238 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Kd '=' 2238 nM
Q9JJ16 BXGT020824 5-hydroxytryptamine receptor 3B reviewed - Htr3b Kd '=' 2238 nM
P31388 BXGT009532 5-hydroxytryptamine receptor 6 reviewed - Htr6 Kd '=' 2238 nM
P32305 BXGT009621 5-hydroxytryptamine receptor 7 reviewed - Htr7 Kd '=' 2238 nM
P35365 BXGT009820 5-hydroxytryptamine receptor 5B reviewed - Htr5b Kd '=' 2238 nM
P35563 BXGT009849 5-hydroxytryptamine receptor 3A reviewed - Htr3a Kd '=' 2238 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a EC50 '=' 11300 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Ki '=' 6900 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki '=' 551 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Ki - - -
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a EC50 '=' 2600 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c EC50 '=' 24000 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a EC50 '=' 4000 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Ki '=' 380 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Ki '=' 302 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '=' 5500 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
P21398 BXGT008645 Amine oxidase [flavin-containing] A reviewed - MAOA MAO deamination '=' 21 %
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB MAO deamination '=' 21 %
P21398 BXGT008645 Amine oxidase [flavin-containing] A reviewed - MAOA MAO deamination '=' 1 %
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB MAO deamination '=' 1 %
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B Ki '=' 795 nM
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B Ki - - -
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Efficacy - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
BXGF01655 Lophophora williamsii Lophophora williamsii Medicinal Plant
BXGF04920 Aconitum carmichaeli Aconitum carmichaeli Medicinal Plant
BXGF05365 Aconitum carmichaelii Aconitum carmichaelii 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