Showing entry for 3-(1H-Indol-3-Yl)-2-(Trimethylazaniumyl)Propanoate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018618
Compound Name3-(1H-Indol-3-Yl)-2-(Trimethylazaniumyl)Propanoate
Structure
FormulaC14H18N2O2
InchiKeyAOHCBEAZXHZMOR-UHFFFAOYSA-N
SMILES[O-]C(=O)C([N+](C)(C)C)Cc1c[nH]c2c1cccc2
InchiInChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3
IUPAC3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
Molecular Weight246.14
Pubchem Id3861164
Chembl IdCHEMBL448328
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 n.a
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
CHEMBL CHEMBL448328
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
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 50118 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 25118 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 28183 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 7943 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01145 Pterocarpus officinalis Pterocarpus officinalis Medicinal Plant
BXGF04705 Abrus precatorius Abrus precatorius Medicinal Plant
BXGF04881 Fallopia multiflora Fallopia multiflora Medicinal Plant
BXGF05365 Aconitum carmichaelii Aconitum carmichaelii Medicinal Plant
BXGF05722 Hedysarum polybotrys Hedysarum polybotrys Medicinal Plant
BXGF05910 Desmodium gangeticum Desmodium gangeticum 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