Showing entry for 1-(3,4,5-Trimethoxyphenyl)Propan-2-Amine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039091
Compound Name1-(3,4,5-Trimethoxyphenyl)Propan-2-Amine
Structure
FormulaC12H19NO3
InchiKeyWGTASENVNYJZBK-UHFFFAOYSA-N
SMILESCOc1cc(CC(N)C)cc(c1OC)OC
InchiInChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3
IUPAC1-(3,4,5-trimethoxyphenyl)propan-2-amine
Molecular Weight225.14
Pubchem Id31016
Chembl IdCHEMBL30336
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 50005256
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 BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 260 - - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 >10000 - - -
reviewed BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A 57.9 - - -
reviewed BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B 307 - - -
reviewed BXGT009493 5-hydroxytryptamine receptor 2B reviewed Htr2b 187 - - -
reviewed BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C 87.7 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 16500 - - -
reviewed BXGT006838 5-hydroxytryptamine receptor 2C reviewed Htr2c 5710 - - -
reviewed BXGT009493 5-hydroxytryptamine receptor 2B reviewed Htr2b - - 2511.89 -
CHEMBL CHEMBL30336
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
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Ki '=' 5710 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Kd '=' 2511 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Selectivity '=' 3 -
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Selectivity '=' 3 -
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Selectivity '=' 3 -
P28565 BXGT009273 5-hydroxytryptamine receptor 1D reviewed - Htr1d Kd '=' 2511 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Kd '=' 2511 nM
P35364 BXGT009819 5-hydroxytryptamine receptor 5A reviewed - Htr5a Kd '=' 2511 nM
P30940 BXGT009484 5-hydroxytryptamine receptor 1F reviewed - Htr1f Kd '=' 2511 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Kd '=' 2511 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Kd '=' 2511 nM
Q62758 BXGT016041 5-hydroxytryptamine receptor 4 reviewed - Htr4 Kd '=' 2511 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Kd '=' 2511 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Kd '=' 2511 nM
Q9JJ16 BXGT020824 5-hydroxytryptamine receptor 3B reviewed - Htr3b Kd '=' 2511 nM
P31388 BXGT009532 5-hydroxytryptamine receptor 6 reviewed - Htr6 Kd '=' 2511 nM
P32305 BXGT009621 5-hydroxytryptamine receptor 7 reviewed - Htr7 Kd '=' 2511 nM
P35365 BXGT009820 5-hydroxytryptamine receptor 5B reviewed - Htr5b Kd '=' 2511 nM
P35563 BXGT009849 5-hydroxytryptamine receptor 3A reviewed - Htr3a Kd '=' 2511 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '=' 16500 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Ki '=' 16500 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Ki '=' 16500 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02357 Euodia bodinieri Euodia bodinieri Others
BXGF02978 Tetradium ruticarpum Tetradium ruticarpum Medicinal Plant
BXGF05356 Euodia officinalis Euodia officinalis Others
BXGF06002 Euodia ruticarpa Euodia ruticarpa 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