Showing entry for evodiamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0022418
Compound Nameevodiamine
Structure
FormulaC19H17N3O
InchiKeyTXDUTHBFYKGSAH-UHFFFAOYSA-N
SMILESO=C1c2ccccc2N(C2N1CCc1c2[nH]c2c1cccc2)C
InchiInChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
IUPAC
Molecular Weight303.14
Pubchem Id151289
Chembl IdCHEMBL81925
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 50016250
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 BXGT011959 Cholinesterase reviewed BCHE - 4620 - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache - >10000 - -
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 600
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 330
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 860
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 100
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 180
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 2380
reviewed BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - 440 - -
CHEMBL CHEMBL81925
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
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -195 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 IC50 '=' 440 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 37 %
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 100 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '>' 10000 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -439 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity - - -
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -159 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -157 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -81 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 2380 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -235 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -60 pA/pF
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 22387 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -492 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -35 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -259 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -172 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -143 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -416 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -328 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -2396 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -393 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -242 pA/pF
P81908 BXGT011959 Cholinesterase reviewed - BCHE IC50 '=' 4620 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -236 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -369 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -75 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' 0 mV
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 5 %
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -447 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -142 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -528 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -208 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 860 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -165 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Inhibition - - -
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -81 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -132 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 600 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 330 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -390 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -296 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 180 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -255 pA/pF
O75762 BXGT005151 Transient receptor potential cation channel subfamily A member 1 reviewed Ion channel TRPA1 Activity - - -
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -94 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -422 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -6 pA/pF
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 Activity '=' -49 pA/pF
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
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF04256 Phellodendron chinese Phellodendron chinese Others
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