Showing entry for Ilepcimide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021600
Compound NameIlepcimide
Structure
FormulaC15H17NO3
InchiKeyBLPUOQGPBJPXRL-FNORWQNLSA-N
SMILESO=C(N1CCCCC1)/C=C/c1ccc2c(c1)OCO2
InchiInChI=1S/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2/b7-5+
IUPAC(E)-3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
Molecular Weight259.12
Pubchem Id641115
Chembl IdCHEMBL118478
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 50415871
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 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 - - - 19952.62
CHEMBL CHEMBL118478
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
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 Activity - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 28183 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 EC50 '=' 19952 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 31622 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 3548 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 11995 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 Emax '=' 66 %
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 3548 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 11220 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 9196 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 25118 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 1584 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 Activity '=' 79 %
P47870 BXGT010591 Gamma-aminobutyric acid receptor subunit beta-2 reviewed Ion channel GABRB2 Activity '=' 79 %
P14867 BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 Activity '=' 79 %
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 3662 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 4609 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00943 Brickellia longifolia Brickellia longifolia Others
BXGF00976 Verbesina virginica Verbesina virginica Others
BXGF01072 Dichotomanthes tristaniicarpa Dichotomanthes tristaniicarpa Others
BXGF01165 Cochlearia officinalis Cochlearia officinalis Medicinal Plant
BXGF01368 Frullania brasiliensis Frullania brasiliensis Medicinal Plant
BXGF01396 Bupleurum rigidum Bupleurum rigidum Medicinal Plant
BXGF01531 Abies webbiana Abies webbiana Medicinal Plant
BXGF03575 Palisota barteri Palisota barteri Others
BXGF03737 Matsumurella chinensis Matsumurella chinensis Others
BXGF04427 Silene banksia Silene banksia Others
BXGF04642 Podocarpus minor Podocarpus minor Others
BXGF05189 Dracontium loretense Dracontium loretense Others
BXGF05648 Euphorbia wangii Euphorbia wangii Others
BXGF05671 Carpesium longifolium Carpesium longifolium Medicinal Plant
BXGF05694 Piper retrofractum Piper retrofractum Medicinal Plant
BXGF05741 Crocus corsicus Crocus corsicus Others
BXGF05792 Schefflera venulosa Schefflera venulosa Medicinal Plant
BXGF06264 Homalium laurifolium Homalium laurifolium Others
BXGF06316 Coelogyne nitida Coelogyne nitida 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