Showing entry for 2-Phenylethylamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004760
Compound Name2-Phenylethylamine
Structure
FormulaC8H11N
InchiKeyBHHGXPLMPWCGHP-UHFFFAOYSA-N
SMILESNCCC1=CC=CC=C1
InchiInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
IUPAC2-phenylethan-1-amine
Molecular Weight121.18
Pubchem Id1001
Chembl IdCHEMBL610
Targets of Information Source
DrugBank DB04325
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
P46883 BXGT010549 Primary amine oxidase reviewed - tynA experimental -
P07478 BXGT006630 Trypsin-2 reviewed Enzyme PRSS2 experimental -
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 experimental -
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 10758
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 BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 2100 - - -
reviewed BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 21000 - - -
reviewed BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A >10000 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 467000 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 16820 - - -
reviewed BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A 16800 - - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 4410 - -
reviewed BXGT019345 Trace amine-associated receptor 1 reviewed Taar1 - - - 138
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 220000 - - -
reviewed BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 - - - 129
reviewed BXGT019346 Trace amine-associated receptor 1 reviewed Taar1 - - - 209
reviewed BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 - - - 106
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 854000 - - -
reviewed BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 11000 - - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 3000 - -
CHEMBL CHEMBL610
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
Q96RJ0 BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 EC50 '=' 110 nM
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 40 nM
Q96RJ0 BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 EC50 '=' 129 nM
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 209 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
Q96RJ0 BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 Emax '=' 100 %
P28565 BXGT009273 5-hydroxytryptamine receptor 1D reviewed - Htr1d Kd '=' 5495 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Kd '=' 5495 nM
P35364 BXGT009819 5-hydroxytryptamine receptor 5A reviewed - Htr5a Kd '=' 5495 nM
P30940 BXGT009484 5-hydroxytryptamine receptor 1F reviewed - Htr1f Kd '=' 5495 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Kd '=' 5495 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Kd '=' 5495 nM
Q62758 BXGT016041 5-hydroxytryptamine receptor 4 reviewed - Htr4 Kd '=' 5495 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Kd '=' 5495 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Kd '=' 5495 nM
Q9JJ16 BXGT020824 5-hydroxytryptamine receptor 3B reviewed - Htr3b Kd '=' 5495 nM
P31388 BXGT009532 5-hydroxytryptamine receptor 6 reviewed - Htr6 Kd '=' 5495 nM
P32305 BXGT009621 5-hydroxytryptamine receptor 7 reviewed - Htr7 Kd '=' 5495 nM
P35365 BXGT009820 5-hydroxytryptamine receptor 5B reviewed - Htr5b Kd '=' 5495 nM
P35563 BXGT009849 5-hydroxytryptamine receptor 3A reviewed - Htr3a Kd '=' 5495 nM
Q96RJ0 BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 EC50 '=' 106 nM
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 Activity - - -
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 261 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 854000 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki '=' 16800 nM
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 Retention_time '=' 12 min
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 220000 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 3000 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 14125 nM
P21398 BXGT008645 Amine oxidase [flavin-containing] A reviewed - MAOA k cat '=' 0 s-1
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB k cat '=' 0 s-1
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 Log Kd '=' -1 -
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a Ratio Ki '=' 1 -
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b Ratio Ki '=' 1 -
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d Ratio Ki '=' 1 -
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c Ratio Ki '=' 1 -
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b Ratio Ki '=' 1 -
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a Ratio Ki '=' 1 -
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 Ratio Ki '=' 1 -
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 FC '=' 1000000 -
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 4410 nM
P15101 BXGT008080 Dopamine beta-hydroxylase reviewed - DBH k cat '=' 65 s-1
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '=' 16820 nM
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 Km '=' 3725000 nM
P00760 BXGT005644 Cationic trypsin reviewed - Ki '=' 11000 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 467000 nM
P21398 BXGT008645 Amine oxidase [flavin-containing] A reviewed - MAOA Km '=' 2200000 nM
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB Km '=' 2200000 nM
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 Activity '=' 21 %
O70423 BXGT005066 Membrane primary amine oxidase reviewed - Aoc3 Km '=' 34800 nM
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 Emax '=' 94 %
P15101 BXGT008080 Dopamine beta-hydroxylase reviewed - DBH Km '=' 7000000 nM
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a Ki '=' 753000 nM
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b Ki '=' 753000 nM
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d Ki '=' 753000 nM
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c Ki '=' 753000 nM
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b Ki '=' 753000 nM
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a Ki '=' 753000 nM
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 Ki '=' 753000 nM
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 120 nM
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 170 nM
O70423 BXGT005066 Membrane primary amine oxidase reviewed - Aoc3 Activity '=' 19 %
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 189 nM
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 138 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 2818 nM
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 Emax '=' 95 %
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 Emax '=' 96 %
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 Emax '=' 97 %
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 58 nM
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 Emax '=' 97 %
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 47 nM
Q923Y9 BXGT019346 Trace amine-associated receptor 1 reviewed - Taar1 EC50 '=' 240 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 60100 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '>' 10000 nM
Q923Y8 BXGT019345 Trace amine-associated receptor 1 reviewed - Taar1 Emax '=' 97 %
Q96RJ0 BXGT019728 Trace amine-associated receptor 1 reviewed G-protein coupled receptor TAAR1 EC50 '=' 130 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00034 Broccoli Brassica oleracea var. italica Vegetables
BXGF00036 Turnip Brassica rapa var. rapa Herbs and Spices
BXGF00148 Almond Prunus dulcis Nuts
BXGF00152 Pear Pyrus communis Fruits
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00174 Eggplant Solanum melongena Vegetables
BXGF00178 Spinach Spinacia oleracea Vegetables
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00225 Swiss chard Beta vulgaris ssp. cicla Vegetables
BXGF00400 French plantain Musa X paradisiaca Fruits
BXGF00803 Cabbage Brassica oleracea var. capitata Vegetables
BXGF00806 Alcoholic beverages Beverages
BXGF00809 Brassicas Vegetables
BXGF00812 Cocoa and cocoa products Cocoa and cocoa products
BXGF00815 Milk and milk products Milk and milk products
BXGF00817 Fishes Aquatic foods
BXGF00825 Root vegetables Vegetables
BXGF00828 Yellow zucchini Cucurbita pepo var. cylindrica Gourds
BXGF00830 Yellow bell pepper Capsicum annuum Vegetables
BXGF00831 Orange bell pepper Capsicum annuum Vegetables
BXGF00832 Red bell pepper Capsicum annuum Vegetables
BXGF00837 Nanking cherry Prunus tomentosa Fruits
BXGF00839 White cabbage Brassica oleracea L. var. capitata L. f. alba DC. Vegetables
BXGF01458 Ligularia altaica Ligularia altaica Others
BXGF01703 Dalbergia candenatensis Dalbergia candenatensis Medicinal Plant
BXGF02153 Sida cordifolia Sida cordifolia Medicinal Plant
BXGF02357 Euodia bodinieri Euodia bodinieri Others
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF02978 Tetradium ruticarpum Tetradium ruticarpum Medicinal Plant
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF05299 Corynandra viscosa Corynandra viscosa Medicinal Plant
BXGF05356 Euodia officinalis Euodia officinalis Others
BXGF05910 Desmodium gangeticum Desmodium gangeticum Medicinal Plant
BXGF06002 Euodia ruticarpa Euodia ruticarpa Others
BXGF06260 Dryopteris dilatata Dryopteris dilatata 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