Showing entry for 4-[(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-Oxocyclohexyl]-2-Hydroxyethyl]Piperidine-2,6-Dione


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0047086
Compound Name4-[(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-Oxocyclohexyl]-2-Hydroxyethyl]Piperidine-2,6-Dione
Structure
FormulaC15H23NO4
InchiKeyYPHMISFOHDHNIV-LUTQBAROSA-N
SMILESC[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@@H](CC1CC(=NC(=O)C1)O)O
InchiInChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9+,11+,12+/m0/s1
IUPAC4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
Molecular Weight281.16
Pubchem Id6604199
Chembl IdCHEMBL1358722
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 63645
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 BXGT010049 Heat shock factor protein 1 reviewed Hsf1 - - - 660
reviewed BXGT007490 60S ribosomal protein L19-B reviewed RPL19B - - - 570
reviewed BXGT007489 60S ribosomal protein L19-A reviewed RPL19A - - - 570
reviewed BXGT009858 DNA damage-inducible transcript 3 protein reviewed Ddit3 - >10000 - -
reviewed BXGT008348 X-box-binding protein 1 reviewed XBP1 - 160 - -
reviewed BXGT008969 COUP transcription factor 2 reviewed Nuclear receptor NR2F2 - 1032 - -
reviewed BXGT006444 Tegument protein VP16 reviewed UL48 - 85413 - -
CHEMBL CHEMBL1358722
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
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 2818 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 1032 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 63 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P38532 BXGT010049 Heat shock factor protein 1 reviewed - Hsf1 EC50 '=' 660 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 316 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 517 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 354 nM
P35639 BXGT009858 DNA damage-inducible transcript 3 protein reviewed - Ddit3 IC50 '>' 160 nM
P38532 BXGT010049 Heat shock factor protein 1 reviewed - Hsf1 AC50 '=' 336 nM
P06492 BXGT006444 Tegument protein VP16 reviewed - UL48 IC50 '>' 85413 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
Q8IL32 BXGT018308 Heat shock protein 90, putative unreviewed - PF3D7_1443900 AC50 '<' 195 nM
P0CX82 BXGT007489 60S ribosomal protein L19-A reviewed - RPL19A EC50 '=' 570 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 1000 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 316 nM
P24468 BXGT008969 COUP transcription factor 2 reviewed Nuclear receptor NR2F2 IC50 '=' 1032 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4610 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 410 nM
P17861 BXGT008348 X-box-binding protein 1 reviewed - XBP1 IC50 '<' 210 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 3548 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 891 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 183 nM
P07900 BXGT006696 Heat shock protein HSP 90-alpha reviewed Chaperone HSP90AA1 AC50 '<' 195 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 1000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 651 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 891 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 158 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 4466 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 251 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 1000 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 316 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 707 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 1778 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 891 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 326 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 12995 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01352 Malva crispa Malva crispa Human Edible Plant
BXGF01393 Croton californicus Croton californicus Others
BXGF01407 Solanum toxicarium Solanum toxicarium Others
BXGF01995 Ratibida latipalearis Ratibida latipalearis Medicinal Plant
BXGF02666 Culcitium canescens Culcitium canescens Others
BXGF02876 Andropogon nardus Andropogon nardus Medicinal Plant
BXGF03866 Toxicodendron succedaneum Toxicodendron succedaneum Medicinal Plant
BXGF05016 Nolina erumpens Nolina erumpens Others
BXGF05063 Aglaia gigantea Aglaia gigantea Others
BXGF05419 Dendrobium rotundatum Dendrobium rotundatum Others
BXGF05719 Neoalsomitra integrifolia Neoalsomitra integrifolia Others
BXGF05815 Espeletia marcana Espeletia marcana Others
BXGF05830 Clibadium pentaneuron Clibadium pentaneuron Others
BXGF06019 Picrorhiza kurrooa Picrorhiza kurrooa Medicinal Plant
BXGF06047 Petasites niveus Petasites niveus Others
BXGF06133 Eriostemon fitzgeraldii Eriostemon fitzgeraldii Others
BXGF06196 Weddellina squamulosa Weddellina squamulosa Others
BXGF06258 Croton sparsiflorus Croton sparsiflorus Medicinal Plant
BXGF06313 Piptolepis leptospermoides Piptolepis leptospermoides 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